2-[(4-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide

Systemtic Name: 2-[(4-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-(4-chloro-2-methyl-N-methylsulfonyl-anilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(1-pyrrolidin-1-iumyl)propyl]acetamide IUPAC Name: 2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-(4-chloro-N-mesyl-2-methyl-anilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Formula: C17H27ClN3O3S+ MolecularWeight: 388.93258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)C

InChI

InChI=1S/C17H26ClN3O3S/c1-14-12-15(18)6-7-16(14)21(25(2,23)24)13-17(22)19-8-5-11-20-9-3-4-10-20/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,19,22)/p+1