1-(2-methylsulfonylphenyl)-2,4-dihydro-1H-isoquinolin-3-one

Systemtic Name: 1-(2-methylsulfonylphenyl)-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: 1-(2-methylsulfonylphenyl)-2,4-dihydro-1H-isoquinolin-3-one CAS Name: 1-(2-methylsulfonylphenyl)-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: 1-(2-methylsulfonylphenyl)-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: 1-(2-mesylphenyl)-2,4-dihydro-1H-isoquinolin-3-one Formula: C16H15NO3S MolecularWeight: 301.3602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2C3=CC=CC=C3CC(=O)N2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2C3=CC=CC=C3CC(=O)N2

InChI

InChI=1S/C16H15NO3S/c1-21(19,20)14-9-5-4-8-13(14)16-12-7-3-2-6-11(12)10-15(18)17-16/h2-9,16H,10H2,1H3,(H,17,18)