(Q27165204)

SCHEMBL12648479 (English)

9 October 2016

chemical formula

C₁₉H₂₈N₂O₃S

1 reference

SCHEMBL12648479 (English)

9 October 2016

canonical SMILES

CCS(=O)(=O)N1CCCC2C1CC3C4=C(CCN3C2)C=C(C=C4)OC

1 reference

SCHEMBL12648479 (English)

9 October 2016

isomeric SMILES

CCS(=O)(=O)N1CCC[C@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C=C(C=C4)OC

1 reference

SCHEMBL12648479 (English)

InChI=1S/C19H28N2O3S/c1-3-25(22,23)21-9-4-5-15-13-20-10-8-14-11-16(24-2)6-7-17(14)19(20)12-18(15)21/h6-7,11,15,18-19H,3-5,8-10,12-13H2,1-2H3/t15-,18+,19+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

SCHEMBL12648479 (English)

UMGBFFAJXFXOIL-MNEFBYGVSA-N

9 October 2016

InChIKey

2 references

SCHEMBL12648479 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(8aR,12aS,13aS)-12-(Ethylsulfonyl)-3-methoxy-5,8,8a,9,10,11,12,12a,13,13a-decahydro-6H-isoquinolino[2,1-g][1,6]naphthyridine (English)

9 October 2016

2 references

SCHEMBL12648479 (English)

matched by identifier from

9 October 2016

InChIKey

UMGBFFAJXFXOIL-MNEFBYGVSA-N

ChEBI ID

93509

mapping relation type

2 references

(8aR,12aS,13aS)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine (English)