1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-12-4-6-14(7-5-12)20(18,19)16-9-3-8-15(10-11-16)13(2)17/h4-7H,3,8-11H2,1-2H3