4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]naphthalene-1-sulfonic acid

Systemtic Name: 4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]naphthalene-1-sulfonic acid Openeye Name: 4-[[2-methyl-7-(trifluoromethyl)-4-quinolyl]amino]naphthalene-1-sulfonic acid CAS Name: 4-[[2-methyl-7-(trifluoromethyl)-4-quinolinyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]naphthalene-1-sulfonic acid Traditional Name: 4-[[2-methyl-7-(trifluoromethyl)-4-quinolyl]amino]naphthalene-1-sulfonic acid Formula: C21H15F3N2O3S MolecularWeight: 432.41561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=C1)NC3=CC=C(C4=CC=CC=C43)S(=O)(=O)O

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=C1)NC3=CC=C(C4=CC=CC=C43)S(=O)(=O)O

InChI

InChI=1S/C21H15F3N2O3S/c1-12-10-18(16-7-6-13(21(22,23)24)11-19(16)25-12)26-17-8-9-20(30(27,28)29)15-5-3-2-4-14(15)17/h2-11H,1H3,(H,25,26)(H,27,28,29)