2-[(4-methylphenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide

Systemtic Name: 2-[(4-methylphenyl)-methylsulfonyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide Openeye Name: 2-(4-methyl-N-methylsulfonyl-anilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide CAS Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]propanamide IUPAC Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide Traditional Name: 2-(N-mesyl-4-methyl-anilino)-N-(4-pyrrolidinobenzyl)propionamide Formula: C22H29N3O3S MolecularWeight: 415.54896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C(C)C(=O)NCC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N(C(C)C(=O)NCC2=CC=C(C=C2)N3CCCC3)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O3S/c1-17-6-10-21(11-7-17)25(29(3,27)28)18(2)22(26)23-16-19-8-12-20(13-9-19)24-14-4-5-15-24/h6-13,18H,4-5,14-16H2,1-3H3,(H,23,26)