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

Systemtic Name: N-butyl-3-(fluoranylmethyl)-1-oxidanylidene-3,4-dihydro-2H-isoquinoline-7-sulfonamide Openeye Name: N-butyl-3-(fluoromethyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide CAS Name: N-butyl-3-(fluoromethyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide IUPAC Name: N-butyl-3-(fluoromethyl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide Traditional Name: N-butyl-3-(fluoromethyl)-1-keto-3,4-dihydro-2H-isoquinoline-7-sulfonamide Formula: C14H19FN2O3S MolecularWeight: 314.375663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19FN2O3S/c1-2-3-6-16-21(19,20)12-5-4-10-7-11(9-15)17-14(18)13(10)8-12/h4-5,8,11,16H,2-3,6-7,9H2,1H3,(H,17,18)