3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzoic acid CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-(2,3-dimethylphenyl)piperazino]sulfonylbenzoic acid Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O)C

InChI

InChI=1S/C19H22N2O4S/c1-14-5-3-8-18(15(14)2)20-9-11-21(12-10-20)26(24,25)17-7-4-6-16(13-17)19(22)23/h3-8,13H,9-12H2,1-2H3,(H,22,23)