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

Systemtic Name: O1-methyl O4-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] benzene-1,4-dicarboxylate Openeye Name: O1-methyl O4-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: 1-O-methyl 4-O-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-keto-2-(4-tosylpiperazino)ethyl] ester O1-methyl ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H24N2O7S/c1-16-3-9-19(10-4-16)32(28,29)24-13-11-23(12-14-24)20(25)15-31-22(27)18-7-5-17(6-8-18)21(26)30-2/h3-10H,11-15H2,1-2H3