N-[4-(cyanomethyl)phenyl]-2-oxidanylidene-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-oxidanylidene-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-oxo-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-keto-4-(trifluoromethyl)-1H-quinoline-6-sulfonamide Formula: C18H12F3N3O3S MolecularWeight: 407.36639

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CC#N)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F

InChI

InChI=1S/C18H12F3N3O3S/c19-18(20,21)15-10-17(25)23-16-6-5-13(9-14(15)16)28(26,27)24-12-3-1-11(2-4-12)7-8-22/h1-6,9-10,24H,7H2,(H,23,25)