2-(azepan-1-ium-1-yl)-N-(2-methylsulfonylphenyl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(2-methylsulfonylphenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(2-methylsulfonylphenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(2-methylsulfonylphenyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(2-methylsulfonylphenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(2-mesylphenyl)acetamide Formula: C15H23N2O3S+ MolecularWeight: 311.41972

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCCCCC2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C15H22N2O3S/c1-21(19,20)14-9-5-4-8-13(14)16-15(18)12-17-10-6-2-3-7-11-17/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,16,18)/p+1