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

Systemtic Name: O4-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 4-O-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-[4-(4-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl] ester O1-methyl ester Formula: C21H21ClN2O7S MolecularWeight: 480.91864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O7S/c1-30-20(26)15-2-4-16(5-3-15)21(27)31-14-19(25)23-10-12-24(13-11-23)32(28,29)18-8-6-17(22)7-9-18/h2-9H,10-14H2,1H3