2-[[6-(3,4-dimethoxyphenyl)sulfonyl-3-oxidanyl-quinolin-2-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[6-(3,4-dimethoxyphenyl)sulfonyl-3-oxidanyl-quinolin-2-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[6-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-quinoline-2-carbonyl]amino]acetic acid CAS Name: 2-[[[6-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-2-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[6-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxyquinoline-2-carbonyl]amino]acetic acid Traditional Name: 2-[[6-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-quinoline-2-carbonyl]amino]acetic acid Formula: C20H18N2O8S MolecularWeight: 446.43052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=CC(=C(N=C3C=C2)C(=O)NCC(=O)O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=CC(=C(N=C3C=C2)C(=O)NCC(=O)O)O)OC

InChI

InChI=1S/C20H18N2O8S/c1-29-16-6-4-13(9-17(16)30-2)31(27,28)12-3-5-14-11(7-12)8-15(23)19(22-14)20(26)21-10-18(24)25/h3-9,23H,10H2,1-2H3,(H,21,26)(H,24,25)