3-[bis(fluoranyl)methyl]-N-(4-chlorophenyl)-1-oxidanylidene-3,4-dihydro-2H-isoquinoline-7-sulfonamide

Systemtic Name: 3-[bis(fluoranyl)methyl]-N-(4-chlorophenyl)-1-oxidanylidene-3,4-dihydro-2H-isoquinoline-7-sulfonamide Openeye Name: N-(4-chlorophenyl)-3-(difluoromethyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide CAS Name: N-(4-chlorophenyl)-3-(difluoromethyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide IUPAC Name: N-(4-chlorophenyl)-3-(difluoromethyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide Traditional Name: N-(4-chlorophenyl)-3-(difluoromethyl)-1-keto-3,4-dihydro-2H-isoquinoline-7-sulfonamide Formula: C16H13ClF2N2O3S MolecularWeight: 386.800826

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)C2=C1C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)C(F)F

Isomeric SMILES

C1C(NC(=O)C2=C1C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)C(F)F

InChI

InChI=1S/C16H13ClF2N2O3S/c17-10-2-4-11(5-3-10)21-25(23,24)12-6-1-9-7-14(15(18)19)20-16(22)13(9)8-12/h1-6,8,14-15,21H,7H2,(H,20,22)