2-(azepan-1-ium-1-yl)-N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)acetamide Formula: C18H27ClN3O3S+ MolecularWeight: 400.94328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C18H26ClN3O3S/c19-16-8-7-15(26(24,25)22-11-5-6-12-22)13-17(16)20-18(23)14-21-9-3-1-2-4-10-21/h7-8,13H,1-6,9-12,14H2,(H,20,23)/p+1