3-(azocan-1-ium-1-yl)-N-[2-chloranyl-5-(dimethylsulfamoyl)phenyl]propanamide

Systemtic Name: 3-(azocan-1-ium-1-yl)-N-[2-chloranyl-5-(dimethylsulfamoyl)phenyl]propanamide Openeye Name: 3-(azocan-1-ium-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]propanamide CAS Name: 3-(1-azocan-1-iumyl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]propanamide IUPAC Name: 3-(azocan-1-ium-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]propanamide Traditional Name: 3-(azocan-1-ium-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]propionamide Formula: C18H29ClN3O3S+ MolecularWeight: 402.95916

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC[NH+]2CCCCCCC2

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CC[NH+]2CCCCCCC2

InChI

InChI=1S/C18H28ClN3O3S/c1-21(2)26(24,25)15-8-9-16(19)17(14-15)20-18(23)10-13-22-11-6-4-3-5-7-12-22/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,23)/p+1