2-[(3-methylphenyl)methylsulfonyl]-N-(2-oxidanylideneazepan-3-yl)ethanamide

Systemtic Name: 2-[(3-methylphenyl)methylsulfonyl]-N-(2-oxidanylideneazepan-3-yl)ethanamide Openeye Name: 2-(m-tolylmethylsulfonyl)-N-(2-oxoazepan-3-yl)acetamide CAS Name: 2-[(3-methylphenyl)methylsulfonyl]-N-(2-oxo-3-azepanyl)acetamide IUPAC Name: 2-[(3-methylphenyl)methylsulfonyl]-N-(2-oxoazepan-3-yl)acetamide Traditional Name: N-(2-ketoazepan-3-yl)-2-(3-methylbenzyl)sulfonyl-acetamide Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)CC(=O)NC2CCCCNC2=O

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)CC(=O)NC2CCCCNC2=O

InChI

InChI=1S/C16H22N2O4S/c1-12-5-4-6-13(9-12)10-23(21,22)11-15(19)18-14-7-2-3-8-17-16(14)20/h4-6,9,14H,2-3,7-8,10-11H2,1H3,(H,17,20)(H,18,19)