4-oxidanylidene-N-(4-pyrrolidin-1-ylsulfonylphenyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide

Systemtic Name: 4-oxidanylidene-N-(4-pyrrolidin-1-ylsulfonylphenyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide Openeye Name: 4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide CAS Name: 4-oxo-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-8-(trifluoromethyl)-1H-quinoline-3-carboxamide IUPAC Name: 4-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide Traditional Name: 4-keto-N-(4-pyrrolidinosulfonylphenyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide Formula: C21H18F3N3O4S MolecularWeight: 465.44553

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CNC4=C(C3=O)C=CC=C4C(F)(F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CNC4=C(C3=O)C=CC=C4C(F)(F)F

InChI

InChI=1S/C21H18F3N3O4S/c22-21(23,24)17-5-3-4-15-18(17)25-12-16(19(15)28)20(29)26-13-6-8-14(9-7-13)32(30,31)27-10-1-2-11-27/h3-9,12H,1-2,10-11H2,(H,25,28)(H,26,29)