5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxy-benzoic acid CAS Name: 5-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-hydroxybenzoic acid IUPAC Name: 5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxybenzoic acid Traditional Name: 5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-2-hydroxy-benzoic acid Formula: C19H22N2O7S MolecularWeight: 422.45218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)O)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)O)C(=O)O)OC

InChI

InChI=1S/C19H22N2O7S/c1-27-17-6-4-14(12-18(17)28-2)29(25,26)21-9-7-20(8-10-21)13-3-5-16(22)15(11-13)19(23)24/h3-6,11-12,22H,7-10H2,1-2H3,(H,23,24)