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

Systemtic Name: 3-methyl-4-[(3-methylsulfonylphenyl)amino]-5,6,7,8-tetrahydro-2H-isoquinolin-1-one Openeye Name: 3-methyl-4-(3-methylsulfonylanilino)-5,6,7,8-tetrahydro-2H-isoquinolin-1-one CAS Name: 3-methyl-4-(3-methylsulfonylanilino)-5,6,7,8-tetrahydro-2H-isoquinolin-1-one IUPAC Name: 3-methyl-4-(3-methylsulfonylanilino)-5,6,7,8-tetrahydro-2H-isoquinolin-1-one Traditional Name: 4-(3-mesylanilino)-3-methyl-5,6,7,8-tetrahydro-2H-isoquinolin-1-one Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(CCCC2)C(=O)N1)NC3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C2=C(CCCC2)C(=O)N1)NC3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C17H20N2O3S/c1-11-16(14-8-3-4-9-15(14)17(20)18-11)19-12-6-5-7-13(10-12)23(2,21)22/h5-7,10,19H,3-4,8-9H2,1-2H3,(H,18,20)