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

Systemtic Name: 2-[[3-oxidanyl-6-(4-propoxyphenyl)sulfonyl-quinolin-2-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[3-hydroxy-6-(4-propoxyphenyl)sulfonyl-quinoline-2-carbonyl]amino]acetic acid CAS Name: 2-[[[3-hydroxy-6-(4-propoxyphenyl)sulfonyl-2-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-hydroxy-6-(4-propoxyphenyl)sulfonylquinoline-2-carbonyl]amino]acetic acid Traditional Name: 2-[[3-hydroxy-6-(4-propoxyphenyl)sulfonyl-quinoline-2-carbonyl]amino]acetic acid Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC(=C(N=C3C=C2)C(=O)NCC(=O)O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC(=C(N=C3C=C2)C(=O)NCC(=O)O)O

InChI

InChI=1S/C21H20N2O7S/c1-2-9-30-14-3-5-15(6-4-14)31(28,29)16-7-8-17-13(10-16)11-18(24)20(23-17)21(27)22-12-19(25)26/h3-8,10-11,24H,2,9,12H2,1H3,(H,22,27)(H,25,26)