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

Systemtic Name: 2-[[3-oxidanyl-6-(4-propylphenyl)sulfonyl-quinolin-2-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[3-hydroxy-6-(4-propylphenyl)sulfonyl-quinoline-2-carbonyl]amino]acetic acid CAS Name: 2-[[[3-hydroxy-6-(4-propylphenyl)sulfonyl-2-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-hydroxy-6-(4-propylphenyl)sulfonylquinoline-2-carbonyl]amino]acetic acid Traditional Name: 2-[[3-hydroxy-6-(4-propylphenyl)sulfonyl-quinoline-2-carbonyl]amino]acetic acid Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC(=C(N=C3C=C2)C(=O)NCC(=O)O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC(=C(N=C3C=C2)C(=O)NCC(=O)O)O

InChI

InChI=1S/C21H20N2O6S/c1-2-3-13-4-6-15(7-5-13)30(28,29)16-8-9-17-14(10-16)11-18(24)20(23-17)21(27)22-12-19(25)26/h4-11,24H,2-3,12H2,1H3,(H,22,27)(H,25,26)