1-[4-(3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-(3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-(m-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-(3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-(3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-(m-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-12-5-3-6-14(11-12)20(18,19)16-8-4-7-15(9-10-16)13(2)17/h3,5-6,11H,4,7-10H2,1-2H3