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

Systemtic Name: 3-[bis(fluoranyl)methyl]-N-(4-nitrophenyl)-1-oxidanylidene-3,4-dihydro-2H-isoquinoline-7-sulfonamide Openeye Name: 3-(difluoromethyl)-N-(4-nitrophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide CAS Name: 3-(difluoromethyl)-N-(4-nitrophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide IUPAC Name: 3-(difluoromethyl)-N-(4-nitrophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide Traditional Name: 3-(difluoromethyl)-1-keto-N-(4-nitrophenyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide Formula: C16H13F2N3O5S MolecularWeight: 397.353326

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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)[N+](=O)[O-])C(F)F

Isomeric SMILES

C1C(NC(=O)C2=C1C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(F)F

InChI

InChI=1S/C16H13F2N3O5S/c17-15(18)14-7-9-1-6-12(8-13(9)16(22)19-14)27(25,26)20-10-2-4-11(5-3-10)21(23)24/h1-6,8,14-15,20H,7H2,(H,19,22)