octyl 2-[[2-[(4-dimethylaminophenyl)diazenyl]-5-methylsulfonyl-phenyl]carbonylsulfamoyl]benzoate

Systemtic Name: octyl 2-[[2-[(4-dimethylaminophenyl)diazenyl]-5-methylsulfonyl-phenyl]carbonylsulfamoyl]benzoate Openeye Name: octyl 2-[[2-(4-dimethylaminophenyl)azo-5-methylsulfonyl-benzoyl]sulfamoyl]benzoate CAS Name: 2-[[[2-(4-dimethylaminophenyl)azo-5-methylsulfonylphenyl]-oxomethyl]sulfamoyl]benzoic acid octyl ester IUPAC Name: octyl 2-[[2-[(4-dimethylaminophenyl)diazenyl]-5-methylsulfonylbenzoyl]sulfamoyl]benzoate Traditional Name: 2-[[2-(4-dimethylaminophenyl)azo-5-mesyl-benzoyl]sulfamoyl]benzoic acid octyl ester Formula: C31H38N4O7S2 MolecularWeight: 642.78602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)N=NC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)N=NC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C31H38N4O7S2/c1-5-6-7-8-9-12-21-42-31(37)26-13-10-11-14-29(26)44(40,41)34-30(36)27-22-25(43(4,38)39)19-20-28(27)33-32-23-15-17-24(18-16-23)35(2)3/h10-11,13-20,22H,5-9,12,21H2,1-4H3,(H,34,36)