4-[(3-methylsulfonylphenyl)amino]-5,6,7,8-tetrahydro-2H-isoquinolin-1-one

Systemtic Name: 4-[(3-methylsulfonylphenyl)amino]-5,6,7,8-tetrahydro-2H-isoquinolin-1-one Openeye Name: 4-(3-methylsulfonylanilino)-5,6,7,8-tetrahydro-2H-isoquinolin-1-one CAS Name: 4-(3-methylsulfonylanilino)-5,6,7,8-tetrahydro-2H-isoquinolin-1-one IUPAC Name: 4-(3-methylsulfonylanilino)-5,6,7,8-tetrahydro-2H-isoquinolin-1-one Traditional Name: 4-(3-mesylanilino)-5,6,7,8-tetrahydro-2H-isoquinolin-1-one Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC2=CNC(=O)C3=C2CCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC2=CNC(=O)C3=C2CCCC3

InChI

InChI=1S/C16H18N2O3S/c1-22(20,21)12-6-4-5-11(9-12)18-15-10-17-16(19)14-8-3-2-7-13(14)15/h4-6,9-10,18H,2-3,7-8H2,1H3,(H,17,19)