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

Systemtic Name: 2-[[6-(4-butylphenyl)sulfonyl-3-oxidanyl-quinolin-2-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[6-(4-butylphenyl)sulfonyl-3-hydroxy-quinoline-2-carbonyl]amino]acetic acid CAS Name: 2-[[[6-(4-butylphenyl)sulfonyl-3-hydroxy-2-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[6-(4-butylphenyl)sulfonyl-3-hydroxyquinoline-2-carbonyl]amino]acetic acid Traditional Name: 2-[[6-(4-butylphenyl)sulfonyl-3-hydroxy-quinoline-2-carbonyl]amino]acetic acid Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC(=C(N=C3C=C2)C(=O)NCC(=O)O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC(=C(N=C3C=C2)C(=O)NCC(=O)O)O

InChI

InChI=1S/C22H22N2O6S/c1-2-3-4-14-5-7-16(8-6-14)31(29,30)17-9-10-18-15(11-17)12-19(25)21(24-18)22(28)23-13-20(26)27/h5-12,25H,2-4,13H2,1H3,(H,23,28)(H,26,27)