2,7-dimethyl-3-methylsulfonyl-isoquinolin-1-one

Systemtic Name: 2,7-dimethyl-3-methylsulfonyl-isoquinolin-1-one Openeye Name: 2,7-dimethyl-3-methylsulfonyl-isoquinolin-1-one CAS Name: 2,7-dimethyl-3-methylsulfonyl-1-isoquinolinone IUPAC Name: 2,7-dimethyl-3-methylsulfonylisoquinolin-1-one Traditional Name: 3-mesyl-2,7-dimethyl-isocarbostyril Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(N(C2=O)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(N(C2=O)C)S(=O)(=O)C

InChI

InChI=1S/C12H13NO3S/c1-8-4-5-9-7-11(17(3,15)16)13(2)12(14)10(9)6-8/h4-7H,1-3H3