diethyl 2-[[4-[but-3-enyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[4-[but-3-enyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[but-3-enyl(p-tolylsulfonyl)amino]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[but-3-enyl-(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[but-3-enyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[but-3-enyl(tosyl)amino]benzoyl]amino]glutaric acid diethyl ester Formula: C27H34N2O7S MolecularWeight: 530.63306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O7S/c1-5-8-19-29(37(33,34)23-15-9-20(4)10-16-23)22-13-11-21(12-14-22)26(31)28-24(27(32)36-7-3)17-18-25(30)35-6-2/h5,9-16,24H,1,6-8,17-19H2,2-4H3,(H,28,31)