2-(azepan-1-ium-1-yl)-N-[2-chloranyl-5-[ethyl(phenyl)sulfamoyl]phenyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[2-chloranyl-5-[ethyl(phenyl)sulfamoyl]phenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]acetamide Formula: C22H29ClN3O3S+ MolecularWeight: 451.00196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O3S/c1-2-26(18-10-6-5-7-11-18)30(28,29)19-12-13-20(23)21(16-19)24-22(27)17-25-14-8-3-4-9-15-25/h5-7,10-13,16H,2-4,8-9,14-15,17H2,1H3,(H,24,27)/p+1