2-[(2-ethylphenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide

Systemtic Name: 2-[(2-ethylphenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-(2-ethyl-N-methylsulfonyl-anilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(1-pyrrolidin-1-iumyl)propyl]acetamide IUPAC Name: 2-(2-ethyl-N-methylsulfonylanilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-(2-ethyl-N-mesyl-anilino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=CC=C1N(CC(=O)NCCC[NH+]2CCCC2)S(=O)(=O)C

InChI

InChI=1S/C18H29N3O3S/c1-3-16-9-4-5-10-17(16)21(25(2,23)24)15-18(22)19-11-8-14-20-12-6-7-13-20/h4-5,9-10H,3,6-8,11-15H2,1-2H3,(H,19,22)/p+1