1-(7-methylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 1-(7-methylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 1-(7-methylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 1-(7-methylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 1-(7-methylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 1-(7-mesyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C1)C=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(=O)N1CCC2=C(C1)C=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C12H15NO3S/c1-9(14)13-6-5-10-3-4-12(17(2,15)16)7-11(10)8-13/h3-4,7H,5-6,8H2,1-2H3