(Q27293950)

UNII-XQ287TU15X (English)

14 October 2016

chemical formula

C₃₆H₄₇N₅O₅S₂

1 reference

UNII-XQ287TU15X (English)

14 October 2016

canonical SMILES

CN(C)CCCCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCC5(CCCC5)CC4)[N+](=O)[O-]

1 reference

UNII-XQ287TU15X (English)

14 October 2016

isomeric SMILES

CN(C)CCCC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCC5(CCCC5)CC4)[N+](=O)[O-]

1 reference

UNII-XQ287TU15X (English)

InChI=1S/C36H47N5O5S2/c1-39(2)23-9-6-10-29(27-47-31-11-4-3-5-12-31)37-33-18-17-32(26-34(33)41(43)44)48(45,46)38-35(42)28-13-15-30(16-14-28)40-24-21-36(22-25-40)19-7-8-20-36/h3-5,11-18,26,29,37H,6-10,19-25,27H2,1-2H3,(H,38,42)/t29-/m1/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-XQ287TU15X (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-XQ287TU15X (English)

14 October 2016

1 reference

UNII

XQ287TU15X

a-371191 (English)

14 October 2016

1 reference

4-(8-Azaspiro[4.5]dec-8-yl)-N-[(4-{[(2R)-6-(dimethylamino)-1-(phenylsulfanyl)-2-hexanyl]amino}-3-nitrophenyl)sulfonyl]benzamide (English)

14 October 2016

2 references

UNII-XQ287TU15X (English)

matched by identifier from

14 October 2016

matched by identifier from

SureChEMBL ID

SCHEMBL685148

2 references

based on heuristic

inferred from InChIKey

Global Substance Registration System

1 reference

2 references

UNII

XQ287TU15X

a-371191 (English)

matched by identifier from

14 October 2016