4-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzoate

Systemtic Name: 4-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzoate Openeye Name: 4-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzoate CAS Name: 4-[4-(2,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]benzoate IUPAC Name: 4-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzoate Traditional Name: 4-[4-(2,4-dimethoxyphenyl)sulfonylpiperazino]benzoate Formula: C19H21N2O6S- MolecularWeight: 405.44484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S/c1-26-16-7-8-18(17(13-16)27-2)28(24,25)21-11-9-20(10-12-21)15-5-3-14(4-6-15)19(22)23/h3-8,13H,9-12H2,1-2H3,(H,22,23)/p-1