[2-oxidanylidene-2-(1-phenylethylamino)ethyl] 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-(1-phenylethylamino)ethyl] 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(1-phenylethylamino)ethyl] 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-4-oxobutanoic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylethylamino)ethyl] 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-4-keto-butyric acid [2-keto-2-(1-phenylethylamino)ethyl] ester Formula: C26H33N3O6S MolecularWeight: 515.62172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)OCC(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)OCC(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C26H33N3O6S/c1-19-9-10-20(2)23(17-19)36(33,34)29-15-13-28(14-16-29)25(31)11-12-26(32)35-18-24(30)27-21(3)22-7-5-4-6-8-22/h4-10,17,21H,11-16,18H2,1-3H3,(H,27,30)