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

Systemtic Name: N-(4-nitrophenyl)-1-oxidanylidene-3-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide Openeye Name: N-(4-nitrophenyl)-1-oxo-3-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide CAS Name: N-(4-nitrophenyl)-1-oxo-3-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide IUPAC Name: N-(4-nitrophenyl)-1-oxo-3-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide Traditional Name: 1-keto-N-(4-nitrophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide Formula: C16H12F3N3O5S MolecularWeight: 415.34379

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C16H12F3N3O5S/c17-16(18,19)14-7-9-1-6-12(8-13(9)15(23)20-14)28(26,27)21-10-2-4-11(5-3-10)22(24)25/h1-6,8,14,21H,7H2,(H,20,23)