2-(4-methylphenyl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone

Systemtic Name: 2-(4-methylphenyl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone Openeye Name: 1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-(p-tolyl)ethanone CAS Name: 2-(4-methylphenyl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone IUPAC Name: 2-(4-methylphenyl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone Traditional Name: 1-(4-mesyl-1,4-diazepan-1-yl)-2-(p-tolyl)ethanone Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(=O)N2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CC(=O)N2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C15H22N2O3S/c1-13-4-6-14(7-5-13)12-15(18)16-8-3-9-17(11-10-16)21(2,19)20/h4-7H,3,8-12H2,1-2H3