4-[[(4-methylphenyl)sulfonyl-quinolin-8-yl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-methylphenyl)sulfonyl-quinolin-8-yl-amino]methyl]benzoic acid Openeye Name: 4-[[p-tolylsulfonyl(8-quinolyl)amino]methyl]benzoic acid CAS Name: 4-[[(4-methylphenyl)sulfonyl-(8-quinolinyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(4-methylphenyl)sulfonyl-quinolin-8-ylamino]methyl]benzoic acid Traditional Name: 4-[[8-quinolyl(tosyl)amino]methyl]benzoic acid Formula: C24H20N2O4S MolecularWeight: 432.4916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C24H20N2O4S/c1-17-7-13-21(14-8-17)31(29,30)26(16-18-9-11-20(12-10-18)24(27)28)22-6-2-4-19-5-3-15-25-23(19)22/h2-15H,16H2,1H3,(H,27,28)