2-ethyl-3-methylsulfonyl-isoquinolin-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=CC=CC=C2C1=O)S(=O)(=O)C

Isomeric SMILES

CCN1C(=CC2=CC=CC=C2C1=O)S(=O)(=O)C

InChI

InChI=1S/C12H13NO3S/c1-3-13-11(17(2,15)16)8-9-6-4-5-7-10(9)12(13)14/h4-8H,3H2,1-2H3