(Q27171534)

CHEMBL3183303 (English)

3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

10 October 2016

stereoisomer of

2 references

3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

2 references

3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2S,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

2 references

3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

1 reference

3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

1 reference

3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

1 reference

3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide

1 reference

chemical formula

C₂₃H₃₃ClN₂O₆S₂

1 reference

CHEMBL3183303 (English)

10 October 2016

canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(C(C)CN(C(C)CO)S(=O)(=O)C2=CC(=CC=C2)Cl)OC

1 reference

CHEMBL3183303 (English)

10 October 2016

isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C[C@@H]([C@@H](C)CN([C@H](C)CO)S(=O)(=O)C2=CC(=CC=C2)Cl)OC

1 reference

CHEMBL3183303 (English)

InChI=1S/C23H33ClN2O6S2/c1-17-9-11-21(12-10-17)33(28,29)25(4)15-23(32-5)18(2)14-26(19(3)16-27)34(30,31)22-8-6-7-20(24)13-22/h6-13,18-19,23,27H,14-16H2,1-5H3/t18-,19+,23-/m0/s1

10 October 2016

Identifiers

InChI

1 reference

CHEMBL3183303 (English)

FYUSSFRUYFLLAK-YYDVJCTNSA-N

10 October 2016

InChIKey

2 references

CHEMBL3183303 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-Chloro-N-[(2R)-1-hydroxy-2-propanyl]-N-[(2S,3R)-3-methoxy-2-methyl-4-{methyl[(4-methylphenyl)sulfonyl]amino}butyl]benzenesulfonamide (English)

10 October 2016

2 references

CHEMBL3183303 (English)

matched by identifier from

10 October 2016

InChIKey

FYUSSFRUYFLLAK-YYDVJCTNSA-N

ChEBI ID

99217

mapping relation type

2 references

3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide (English)

matched by identifier from

10 October 2016

International Chemical Identifier

InChI

InChI=1S/C23H33ClN2O6S2/c1-17-9-11-21(12-10-17)33(28,29)25(4)15-23(32-5)18(2)14-26(19(3)16-27)34(30,31)22-8-6-7-20(24)13-22/h6-13,18-19,23,27H,14-16H2,1-5H3/t18-,19+,23-/m0/s1

1 reference