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

Systemtic Name: (3R)-3-(fluoranylmethyl)-1-oxidanylidene-N-propyl-3,4-dihydro-2H-isoquinoline-7-sulfonamide Openeye Name: (3R)-3-(fluoromethyl)-1-oxo-N-propyl-3,4-dihydro-2H-isoquinoline-7-sulfonamide CAS Name: (3R)-3-(fluoromethyl)-1-oxo-N-propyl-3,4-dihydro-2H-isoquinoline-7-sulfonamide IUPAC Name: (3R)-3-(fluoromethyl)-1-oxo-N-propyl-3,4-dihydro-2H-isoquinoline-7-sulfonamide Traditional Name: (3R)-3-(fluoromethyl)-1-keto-N-propyl-3,4-dihydro-2H-isoquinoline-7-sulfonamide Formula: C13H17FN2O3S MolecularWeight: 300.349083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCNS(=O)(=O)C1=CC2=C(C[C@@H](NC2=O)CF)C=C1

InChI

InChI=1S/C13H17FN2O3S/c1-2-5-15-20(18,19)11-4-3-9-6-10(8-14)16-13(17)12(9)7-11/h3-4,7,10,15H,2,5-6,8H2,1H3,(H,16,17)/t10-/m1/s1