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

Systemtic Name: 4-[[3-ethoxycarbonyl-7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonic acid Openeye Name: 4-[[3-ethoxycarbonyl-7-(trifluoromethyl)-4-quinolyl]amino]benzenesulfonic acid CAS Name: 4-[[3-ethoxycarbonyl-7-(trifluoromethyl)-4-quinolinyl]amino]benzenesulfonic acid IUPAC Name: 4-[[3-ethoxycarbonyl-7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonic acid Traditional Name: 4-[[3-carbethoxy-7-(trifluoromethyl)-4-quinolyl]amino]besylic acid Formula: C19H15F3N2O5S MolecularWeight: 440.39301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC=C(C=C3)S(=O)(=O)O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C=C(C=CC2=C1NC3=CC=C(C=C3)S(=O)(=O)O)C(F)(F)F

InChI

InChI=1S/C19H15F3N2O5S/c1-2-29-18(25)15-10-23-16-9-11(19(20,21)22)3-8-14(16)17(15)24-12-4-6-13(7-5-12)30(26,27)28/h3-10H,2H2,1H3,(H,23,24)(H,26,27,28)