(2R)-2-(azocan-1-ium-1-yl)-N-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]propanamide

Systemtic Name: (2R)-2-(azocan-1-ium-1-yl)-N-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]propanamide Openeye Name: (2R)-2-(azocan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide CAS Name: (2R)-2-(1-azocan-1-iumyl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide IUPAC Name: (2R)-2-(azocan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide Traditional Name: (2R)-2-(azocan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propionamide Formula: C18H29ClN3O3S+ MolecularWeight: 402.95916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N(C)C)[NH+]2CCCCCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N(C)C)[NH+]2CCCCCCC2

InChI

InChI=1S/C18H28ClN3O3S/c1-14(22-11-7-5-4-6-8-12-22)18(23)20-15-9-10-16(19)17(13-15)26(24,25)21(2)3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,20,23)/p+1/t14-/m1/s1