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

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide CAS Name: (2R)-2-(1-azepan-1-iumyl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]propionamide Formula: C17H28N3O3S+ MolecularWeight: 354.48752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3S/c1-14(20-11-6-4-5-7-12-20)17(21)18-15-9-8-10-16(13-15)24(22,23)19(2)3/h8-10,13-14H,4-7,11-12H2,1-3H3,(H,18,21)/p+1/t14-/m1/s1