[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: [2-(1H-indol-3-yl)-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-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-(4-tosylpiperazino)butyric acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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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)C3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)OCC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H27N3O6S/c1-18-6-8-19(9-7-18)35(32,33)28-14-12-27(13-15-28)24(30)10-11-25(31)34-17-23(29)21-16-26-22-5-3-2-4-20(21)22/h2-9,16,26H,10-15,17H2,1H3