dimethyl 5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzene-1,3-dicarboxylate CAS Name: 5-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylbenzene-1,3-dicarboxylate Traditional Name: 5-[4-(4-methoxyphenyl)piperazino]sulfonylbenzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H24N2O7S/c1-28-18-6-4-17(5-7-18)22-8-10-23(11-9-22)31(26,27)19-13-15(20(24)29-2)12-16(14-19)21(25)30-3/h4-7,12-14H,8-11H2,1-3H3