5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-oxidanyl-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-oxidanyl-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 2-hydroxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 2-hydroxy-5-[[4-(2-methoxyphenyl)-1-piperazinyl]sulfonyl]-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 2-hydroxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylcyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 2-hydroxy-5-[4-(2-methoxyphenyl)piperazino]sulfonyl-cyclohexa-2,4-diene-1-carboxylic acid Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C(C3)C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C(C3)C(=O)O)O

InChI

InChI=1S/C18H22N2O6S/c1-26-17-5-3-2-4-15(17)19-8-10-20(11-9-19)27(24,25)13-6-7-16(21)14(12-13)18(22)23/h2-7,14,21H,8-12H2,1H3,(H,22,23)