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

Systemtic Name: 2-[[6-(4-butoxyphenyl)sulfonyl-3-oxidanyl-quinolin-2-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[6-(4-butoxyphenyl)sulfonyl-3-hydroxy-quinoline-2-carbonyl]amino]acetic acid CAS Name: 2-[[[6-(4-butoxyphenyl)sulfonyl-3-hydroxy-2-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[6-(4-butoxyphenyl)sulfonyl-3-hydroxyquinoline-2-carbonyl]amino]acetic acid Traditional Name: 2-[[6-(4-butoxyphenyl)sulfonyl-3-hydroxy-quinoline-2-carbonyl]amino]acetic acid Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC(=C(N=C3C=C2)C(=O)NCC(=O)O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC(=C(N=C3C=C2)C(=O)NCC(=O)O)O

InChI

InChI=1S/C22H22N2O7S/c1-2-3-10-31-15-4-6-16(7-5-15)32(29,30)17-8-9-18-14(11-17)12-19(25)21(24-18)22(28)23-13-20(26)27/h4-9,11-12,25H,2-3,10,13H2,1H3,(H,23,28)(H,26,27)