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

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)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-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)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-(1H-pyrrol-2-yl)ethyl] ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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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)C3=CC=CN3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C22H27N3O6S/c1-16-5-6-17(2)20(14-16)32(29,30)25-12-10-24(11-13-25)21(27)7-8-22(28)31-15-19(26)18-4-3-9-23-18/h3-6,9,14,23H,7-8,10-13,15H2,1-2H3