4-[[7-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonic acid

Systemtic Name: 4-[[7-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonic acid Openeye Name: 4-[[7-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonic acid CAS Name: 4-[[7-(trifluoromethyl)-4-quinazolinyl]amino]benzenesulfonic acid IUPAC Name: 4-[[7-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonic acid Traditional Name: 4-[[7-(trifluoromethyl)quinazolin-4-yl]amino]besylic acid Formula: C15H10F3N3O3S MolecularWeight: 369.31841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=NC3=C2C=CC(=C3)C(F)(F)F)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=NC3=C2C=CC(=C3)C(F)(F)F)S(=O)(=O)O

InChI

InChI=1S/C15H10F3N3O3S/c16-15(17,18)9-1-6-12-13(7-9)19-8-20-14(12)21-10-2-4-11(5-3-10)25(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)