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

Systemtic Name: 3-[bis(fluoranyl)methyl]-N-butyl-1-oxidanylidene-3,4-dihydro-2H-isoquinoline-7-sulfonamide Openeye Name: N-butyl-3-(difluoromethyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide CAS Name: N-butyl-3-(difluoromethyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide IUPAC Name: N-butyl-3-(difluoromethyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide Traditional Name: N-butyl-3-(difluoromethyl)-1-keto-3,4-dihydro-2H-isoquinoline-7-sulfonamide Formula: C14H18F2N2O3S MolecularWeight: 332.366126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(CC(NC2=O)C(F)F)C=C1

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(CC(NC2=O)C(F)F)C=C1

InChI

InChI=1S/C14H18F2N2O3S/c1-2-3-6-17-22(20,21)10-5-4-9-7-12(13(15)16)18-14(19)11(9)8-10/h4-5,8,12-13,17H,2-3,6-7H2,1H3,(H,18,19)