O1-methyl O4-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] benzene-1,4-dicarboxylate

Systemtic Name: O1-methyl O4-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] benzene-1,4-dicarboxylate Openeye Name: O4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 4-O-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-(4-besylpiperazino)-2-keto-ethyl] ester O1-methyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7S/c1-29-20(25)16-7-9-17(10-8-16)21(26)30-15-19(24)22-11-13-23(14-12-22)31(27,28)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3