3-(fluoranylmethyl)-N-(4-nitrophenyl)-1-oxidanylidene-3,4-dihydro-2H-isoquinoline-7-sulfonamide

Systemtic Name: 3-(fluoranylmethyl)-N-(4-nitrophenyl)-1-oxidanylidene-3,4-dihydro-2H-isoquinoline-7-sulfonamide Openeye Name: 3-(fluoromethyl)-N-(4-nitrophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide CAS Name: 3-(fluoromethyl)-N-(4-nitrophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide IUPAC Name: 3-(fluoromethyl)-N-(4-nitrophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide Traditional Name: 3-(fluoromethyl)-1-keto-N-(4-nitrophenyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide Formula: C16H14FN3O5S MolecularWeight: 379.362863

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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-])CF

Isomeric SMILES

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

InChI

InChI=1S/C16H14FN3O5S/c17-9-12-7-10-1-6-14(8-15(10)16(21)18-12)26(24,25)19-11-2-4-13(5-3-11)20(22)23/h1-6,8,12,19H,7,9H2,(H,18,21)