[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-keto-2-(4-tosylpiperazino)ethyl] ester Formula: C24H30N2O7S MolecularWeight: 490.5692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)OCC

InChI

InChI=1S/C24H30N2O7S/c1-4-31-21-11-8-19(16-22(21)32-5-2)24(28)33-17-23(27)25-12-14-26(15-13-25)34(29,30)20-9-6-18(3)7-10-20/h6-11,16H,4-5,12-15,17H2,1-3H3