N-[1-(azepan-1-ium-1-yl)-2-methyl-propan-2-yl]-4-chloranyl-benzenesulfonamide

Systemtic Name: N-[1-(azepan-1-ium-1-yl)-2-methyl-propan-2-yl]-4-chloranyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-ium-1-yl)-1,1-dimethyl-ethyl]-4-chloro-benzenesulfonamide CAS Name: N-[1-(1-azepan-1-iumyl)-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide IUPAC Name: N-[1-(azepan-1-ium-1-yl)-2-methylpropan-2-yl]-4-chlorobenzenesulfonamide Traditional Name: N-[2-(azepan-1-ium-1-yl)-1,1-dimethyl-ethyl]-4-chloro-benzenesulfonamide Formula: C16H26ClN2O2S+ MolecularWeight: 345.90784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCCCCC1)NS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C[NH+]1CCCCCC1)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H25ClN2O2S/c1-16(2,13-19-11-5-3-4-6-12-19)18-22(20,21)15-9-7-14(17)8-10-15/h7-10,18H,3-6,11-13H2,1-2H3/p+1