3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoic acid

Systemtic Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoic acid Openeye Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methoxy-benzoic acid CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]-4-methoxybenzoic acid IUPAC Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methoxybenzoic acid Traditional Name: 3-[4-(2,3-dimethylphenyl)piperazino]sulfonyl-4-methoxy-benzoic acid Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-14-5-4-6-17(15(14)2)21-9-11-22(12-10-21)28(25,26)19-13-16(20(23)24)7-8-18(19)27-3/h4-8,13H,9-12H2,1-3H3,(H,23,24)