5,5-dimethyl-1-(4-methylphenyl)sulfonyl-azepan-3-one

Systemtic Name: 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-azepan-3-one Openeye Name: 5,5-dimethyl-1-(p-tolylsulfonyl)azepan-3-one CAS Name: 5,5-dimethyl-1-(4-methylphenyl)sulfonyl-3-azepanone IUPAC Name: 5,5-dimethyl-1-(4-methylphenyl)sulfonylazepan-3-one Traditional Name: 5,5-dimethyl-1-tosyl-azepan-3-one Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC(=O)C2)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC(=O)C2)(C)C

InChI

InChI=1S/C15H21NO3S/c1-12-4-6-14(7-5-12)20(18,19)16-9-8-15(2,3)10-13(17)11-16/h4-7H,8-11H2,1-3H3