4,4-dimethyl-2-(methylsulfonylmethyl)isoquinoline-1,3-dione

Systemtic Name: 4,4-dimethyl-2-(methylsulfonylmethyl)isoquinoline-1,3-dione Openeye Name: 4,4-dimethyl-2-(methylsulfonylmethyl)isoquinoline-1,3-dione CAS Name: 4,4-dimethyl-2-(methylsulfonylmethyl)isoquinoline-1,3-dione IUPAC Name: 4,4-dimethyl-2-(methylsulfonylmethyl)isoquinoline-1,3-dione Traditional Name: 2-(mesylmethyl)-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(=O)N(C1=O)CS(=O)(=O)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2C(=O)N(C1=O)CS(=O)(=O)C)C

InChI

InChI=1S/C13H15NO4S/c1-13(2)10-7-5-4-6-9(10)11(15)14(12(13)16)8-19(3,17)18/h4-7H,8H2,1-3H3