1-methyl-4-(3-methylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-methyl-4-(3-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-methyl-4-(m-tolylsulfonyl)-1,4-diazepane CAS Name: 1-methyl-4-(3-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-methyl-4-(3-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-methyl-4-(m-tolylsulfonyl)-1,4-diazepane Formula: C13H20N2O2S MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S/c1-12-5-3-6-13(11-12)18(16,17)15-8-4-7-14(2)9-10-15/h3,5-6,11H,4,7-10H2,1-2H3