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

Systemtic Name: 5-[4-(4-methoxy-2-methyl-phenyl)sulfonylpiperazin-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[4-(4-methoxy-2-methyl-phenyl)sulfonylpiperazin-1-yl]benzoic acid CAS Name: 2-hydroxy-5-[4-(4-methoxy-2-methylphenyl)sulfonyl-1-piperazinyl]benzoic acid IUPAC Name: 2-hydroxy-5-[4-(4-methoxy-2-methylphenyl)sulfonylpiperazin-1-yl]benzoic acid Traditional Name: 2-hydroxy-5-[4-(4-methoxy-2-methyl-phenyl)sulfonylpiperazino]benzoic acid Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S/c1-13-11-15(27-2)4-6-18(13)28(25,26)21-9-7-20(8-10-21)14-3-5-17(22)16(12-14)19(23)24/h3-6,11-12,22H,7-10H2,1-2H3,(H,23,24)