5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[4-(p-tolylsulfonyl)piperazin-1-yl]benzoic acid CAS Name: 2-hydroxy-5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]benzoic acid IUPAC Name: 2-hydroxy-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzoic acid Traditional Name: 2-hydroxy-5-(4-tosylpiperazino)benzoic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S/c1-13-2-5-15(6-3-13)26(24,25)20-10-8-19(9-11-20)14-4-7-17(21)16(12-14)18(22)23/h2-7,12,21H,8-11H2,1H3,(H,22,23)