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

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-N-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]propanamide Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide CAS Name: (2R)-2-(1-azepan-1-iumyl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propionamide Formula: C17H27ClN3O3S+ MolecularWeight: 388.93258

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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+]2CCCCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N(C)C)[NH+]2CCCCCC2

InChI

InChI=1S/C17H26ClN3O3S/c1-13(21-10-6-4-5-7-11-21)17(22)19-14-8-9-15(18)16(12-14)25(23,24)20(2)3/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,19,22)/p+1/t13-/m1/s1