4,4-dimethyl-2-(3-propan-2-ylsulfinylpropyl)isoquinoline-1,3-dione

Systemtic Name: 4,4-dimethyl-2-(3-propan-2-ylsulfinylpropyl)isoquinoline-1,3-dione Openeye Name: 2-(3-isopropylsulfinylpropyl)-4,4-dimethyl-isoquinoline-1,3-dione CAS Name: 4,4-dimethyl-2-(3-propan-2-ylsulfinylpropyl)isoquinoline-1,3-dione IUPAC Name: 4,4-dimethyl-2-(3-propan-2-ylsulfinylpropyl)isoquinoline-1,3-dione Traditional Name: 2-(3-isopropylsulfinylpropyl)-4,4-dimethyl-isoquinoline-1,3-quinone Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)CCCN1C(=O)C2=CC=CC=C2C(C1=O)(C)C

Isomeric SMILES

CC(C)S(=O)CCCN1C(=O)C2=CC=CC=C2C(C1=O)(C)C

InChI

InChI=1S/C17H23NO3S/c1-12(2)22(21)11-7-10-18-15(19)13-8-5-6-9-14(13)17(3,4)16(18)20/h5-6,8-9,12H,7,10-11H2,1-4H3