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

Systemtic Name: 3-(fluoranylmethyl)-7-(3-methoxypropylsulfonyl)-3,4-dihydro-2H-isoquinolin-1-one Openeye Name: 3-(fluoromethyl)-7-(3-methoxypropylsulfonyl)-3,4-dihydro-2H-isoquinolin-1-one CAS Name: 3-(fluoromethyl)-7-(3-methoxypropylsulfonyl)-3,4-dihydro-2H-isoquinolin-1-one IUPAC Name: 3-(fluoromethyl)-7-(3-methoxypropylsulfonyl)-3,4-dihydro-2H-isoquinolin-1-one Traditional Name: 3-(fluoromethyl)-7-(3-methoxypropylsulfonyl)-3,4-dihydroisocarbostyril Formula: C14H18FNO4S MolecularWeight: 315.360423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18FNO4S/c1-20-5-2-6-21(18,19)12-4-3-10-7-11(9-15)16-14(17)13(10)8-12/h3-4,8,11H,2,5-7,9H2,1H3,(H,16,17)