[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl] 4-indan-5-yl-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid [2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate Traditional Name: 4-indan-5-yl-4-keto-butyric acid [2-keto-2-(4-tosylpiperazino)ethyl] ester Formula: C26H30N2O6S MolecularWeight: 498.5912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CCC(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CCC(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C26H30N2O6S/c1-19-5-9-23(10-6-19)35(32,33)28-15-13-27(14-16-28)25(30)18-34-26(31)12-11-24(29)22-8-7-20-3-2-4-21(20)17-22/h5-10,17H,2-4,11-16,18H2,1H3