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

Systemtic Name: 2-(4-butylsulfonylbutyl)-4,4-dimethyl-isoquinoline-1,3-dione Openeye Name: 2-(4-butylsulfonylbutyl)-4,4-dimethyl-isoquinoline-1,3-dione CAS Name: 2-(4-butylsulfonylbutyl)-4,4-dimethylisoquinoline-1,3-dione IUPAC Name: 2-(4-butylsulfonylbutyl)-4,4-dimethylisoquinoline-1,3-dione Traditional Name: 2-(4-butylsulfonylbutyl)-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C(C1=O)(C)C

Isomeric SMILES

CCCCS(=O)(=O)CCCCN1C(=O)C2=CC=CC=C2C(C1=O)(C)C

InChI

InChI=1S/C19H27NO4S/c1-4-5-13-25(23,24)14-9-8-12-20-17(21)15-10-6-7-11-16(15)19(2,3)18(20)22/h6-7,10-11H,4-5,8-9,12-14H2,1-3H3