1-oxidanylidene-N-[4-[2,2,2-tris(fluoranyl)ethylsulfamoyl]phenyl]-2H-isoquinoline-3-carboxamide

Systemtic Name: 1-oxidanylidene-N-[4-[2,2,2-tris(fluoranyl)ethylsulfamoyl]phenyl]-2H-isoquinoline-3-carboxamide Openeye Name: 1-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-2H-isoquinoline-3-carboxamide CAS Name: 1-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-2H-isoquinoline-3-carboxamide IUPAC Name: 1-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-2H-isoquinoline-3-carboxamide Traditional Name: 1-keto-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-2H-isoquinoline-3-carboxamide Formula: C18H14F3N3O4S MolecularWeight: 425.38167

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC(F)(F)F

InChI

InChI=1S/C18H14F3N3O4S/c19-18(20,21)10-22-29(27,28)13-7-5-12(6-8-13)23-17(26)15-9-11-3-1-2-4-14(11)16(25)24-15/h1-9,22H,10H2,(H,23,26)(H,24,25)