2-(azepan-1-ium-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C21H27N3O3S/c1-23(19-11-5-4-6-12-19)28(26,27)20-13-9-10-18(16-20)22-21(25)17-24-14-7-2-3-8-15-24/h4-6,9-13,16H,2-3,7-8,14-15,17H2,1H3,(H,22,25)/p+1