2-[methyl-(4-methylphenyl)sulfonyl-amino]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[methyl-(4-methylphenyl)sulfonyl-amino]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-[methyl(p-tolylsulfonyl)amino]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[methyl(tosyl)amino]-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C22H29N3O3S/c1-18-9-11-21(12-10-18)29(27,28)24(2)17-22(26)23-15-19-7-3-4-8-20(19)16-25-13-5-6-14-25/h3-4,7-12H,5-6,13-17H2,1-2H3,(H,23,26)/p+1