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

Systemtic Name: 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]carbonylbenzoic acid Openeye Name: 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoic acid CAS Name: 4-[[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoic acid Traditional Name: 4-[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoic acid Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7S/c1-28-17-8-7-16(13-18(17)29-2)30(26,27)22-11-9-21(10-12-22)19(23)14-3-5-15(6-4-14)20(24)25/h3-8,13H,9-12H2,1-2H3,(H,24,25)