3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzoate

Systemtic Name: 3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzoate Openeye Name: 3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzoate CAS Name: 3-[4-(2,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]benzoate IUPAC Name: 3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzoate Traditional Name: 3-[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=CC(=C3)C(=O)[O-])OC

Isomeric SMILES

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

InChI

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