2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: 2-(4-tosyl-1,4-diazepan-1-yl)acetamide Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3S/c1-12-3-5-13(6-4-12)21(19,20)17-8-2-7-16(9-10-17)11-14(15)18/h3-6H,2,7-11H2,1H3,(H2,15,18)