1-(azepan-1-yl)-2-(4-methylphenyl)sulfonyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(4-methylphenyl)sulfonyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(p-tolylsulfonyl)ethanone CAS Name: 1-(1-azepanyl)-2-(4-methylphenyl)sulfonylethanone IUPAC Name: 1-(azepan-1-yl)-2-(4-methylphenyl)sulfonylethanone Traditional Name: 1-(azepan-1-yl)-2-tosyl-ethanone Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCCCCC2

InChI

InChI=1S/C15H21NO3S/c1-13-6-8-14(9-7-13)20(18,19)12-15(17)16-10-4-2-3-5-11-16/h6-9H,2-5,10-12H2,1H3