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

Systemtic Name: 3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzoic acid Openeye Name: 3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzoic acid CAS Name: 3-[4-(2,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]benzoic acid IUPAC Name: 3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]benzoic acid Traditional Name: 3-[4-(2,4-dimethoxyphenyl)sulfonylpiperazino]benzoic acid Formula: C19H22N2O6S MolecularWeight: 406.45278

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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)