4-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]benzoic acid Openeye Name: 4-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]benzoic acid CAS Name: 4-[4-(2-methoxy-5-methylphenyl)sulfonyl-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]benzoic acid Traditional Name: 4-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazino]benzoic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S/c1-14-3-8-17(26-2)18(13-14)27(24,25)21-11-9-20(10-12-21)16-6-4-15(5-7-16)19(22)23/h3-8,13H,9-12H2,1-2H3,(H,22,23)