[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 4-oxo-4-[4-(p-tolylsulfonyl)piperazin-1-yl]butanoate CAS Name: 4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-oxobutanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-(4-tosylpiperazino)butyric acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C24H26N4O6S MolecularWeight: 498.55144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)OCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)OCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C24H26N4O6S/c1-18-5-7-21(8-6-18)35(32,33)28-13-11-27(12-14-28)23(30)9-10-24(31)34-17-22(29)26-20-4-2-3-19(15-20)16-25/h2-8,15H,9-14,17H2,1H3,(H,26,29)