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

Systemtic Name: 2-(2-ethylsulfonylethyl)-4,4-dimethyl-isoquinoline-1,3-dione Openeye Name: 2-(2-ethylsulfonylethyl)-4,4-dimethyl-isoquinoline-1,3-dione CAS Name: 2-(2-ethylsulfonylethyl)-4,4-dimethylisoquinoline-1,3-dione IUPAC Name: 2-(2-ethylsulfonylethyl)-4,4-dimethylisoquinoline-1,3-dione Traditional Name: 2-(2-esylethyl)-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCN1C(=O)C2=CC=CC=C2C(C1=O)(C)C

Isomeric SMILES

CCS(=O)(=O)CCN1C(=O)C2=CC=CC=C2C(C1=O)(C)C

InChI

InChI=1S/C15H19NO4S/c1-4-21(19,20)10-9-16-13(17)11-7-5-6-8-12(11)15(2,3)14(16)18/h5-8H,4,9-10H2,1-3H3