3-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonic acid

Systemtic Name: 3-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonic acid Openeye Name: 3-[[2-methyl-7-(trifluoromethyl)-4-quinolyl]amino]benzenesulfonic acid CAS Name: 3-[[2-methyl-7-(trifluoromethyl)-4-quinolinyl]amino]benzenesulfonic acid IUPAC Name: 3-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonic acid Traditional Name: 3-[[2-methyl-7-(trifluoromethyl)-4-quinolyl]amino]besylic acid Formula: C17H13F3N2O3S MolecularWeight: 382.35693

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=C1)NC3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=C1)NC3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C17H13F3N2O3S/c1-10-7-15(22-12-3-2-4-13(9-12)26(23,24)25)14-6-5-11(17(18,19)20)8-16(14)21-10/h2-9H,1H3,(H,21,22)(H,23,24,25)