(2S)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2-(dimethylaminomethyl)benzyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C22H29N3O3S MolecularWeight: 415.54896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=CC=CC=C3CN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCC3=CC=CC=C3CN(C)C

InChI

InChI=1S/C22H29N3O3S/c1-17-10-12-20(13-11-17)29(27,28)25-14-6-9-21(25)22(26)23-15-18-7-4-5-8-19(18)16-24(2)3/h4-5,7-8,10-13,21H,6,9,14-16H2,1-3H3,(H,23,26)/t21-/m0/s1