diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octyl-amino]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octyl-amino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[octyl(p-tolylsulfonyl)amino]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[(4-methylphenyl)sulfonyl-octylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[(4-methylphenyl)sulfonyl-octylamino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[octyl(tosyl)amino]benzoyl]amino]glutaric acid diethyl ester Formula: C31H44N2O7S MolecularWeight: 588.75526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C1=CC=C(C=C1)C(=O)NC(CCC(=O)OCC)C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCN(C1=CC=C(C=C1)C(=O)NC(CCC(=O)OCC)C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C31H44N2O7S/c1-5-8-9-10-11-12-23-33(41(37,38)27-19-13-24(4)14-20-27)26-17-15-25(16-18-26)30(35)32-28(31(36)40-7-3)21-22-29(34)39-6-2/h13-20,28H,5-12,21-23H2,1-4H3,(H,32,35)