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

Systemtic Name: 4,4-dimethyl-2-(2-methylsulfonylethyl)isoquinoline-1,3-dione Openeye Name: 4,4-dimethyl-2-(2-methylsulfonylethyl)isoquinoline-1,3-dione CAS Name: 4,4-dimethyl-2-(2-methylsulfonylethyl)isoquinoline-1,3-dione IUPAC Name: 4,4-dimethyl-2-(2-methylsulfonylethyl)isoquinoline-1,3-dione Traditional Name: 2-(2-mesylethyl)-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO4S/c1-14(2)11-7-5-4-6-10(11)12(16)15(13(14)17)8-9-20(3,18)19/h4-7H,8-9H2,1-3H3