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

Systemtic Name: 3-[bis(fluoranyl)methyl]-1-oxidanylidene-N-propyl-3,4-dihydro-2H-isoquinoline-7-sulfonamide Openeye Name: 3-(difluoromethyl)-1-oxo-N-propyl-3,4-dihydro-2H-isoquinoline-7-sulfonamide CAS Name: 3-(difluoromethyl)-1-oxo-N-propyl-3,4-dihydro-2H-isoquinoline-7-sulfonamide IUPAC Name: 3-(difluoromethyl)-1-oxo-N-propyl-3,4-dihydro-2H-isoquinoline-7-sulfonamide Traditional Name: 3-(difluoromethyl)-1-keto-N-propyl-3,4-dihydro-2H-isoquinoline-7-sulfonamide Formula: C13H16F2N2O3S MolecularWeight: 318.339546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16F2N2O3S/c1-2-5-16-21(19,20)9-4-3-8-6-11(12(14)15)17-13(18)10(8)7-9/h3-4,7,11-12,16H,2,5-6H2,1H3,(H,17,18)