7-butylsulfonyl-3-(fluoranylmethyl)-3,4-dihydro-2H-isoquinolin-1-one

Systemtic Name: 7-butylsulfonyl-3-(fluoranylmethyl)-3,4-dihydro-2H-isoquinolin-1-one Openeye Name: 7-butylsulfonyl-3-(fluoromethyl)-3,4-dihydro-2H-isoquinolin-1-one CAS Name: 7-butylsulfonyl-3-(fluoromethyl)-3,4-dihydro-2H-isoquinolin-1-one IUPAC Name: 7-butylsulfonyl-3-(fluoromethyl)-3,4-dihydro-2H-isoquinolin-1-one Traditional Name: 7-butylsulfonyl-3-(fluoromethyl)-3,4-dihydroisocarbostyril Formula: C14H18FNO3S MolecularWeight: 299.361023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18FNO3S/c1-2-3-6-20(18,19)12-5-4-10-7-11(9-15)16-14(17)13(10)8-12/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,16,17)