1-methylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-methylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-methylsulfonyl-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-methylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-mesyl-N-[4-(pyrrolidinomethyl)benzyl]isonipecotamide Formula: C19H29N3O3S MolecularWeight: 379.51686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC=C(C=C2)CN3CCCC3

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NCC2=CC=C(C=C2)CN3CCCC3

InChI

InChI=1S/C19H29N3O3S/c1-26(24,25)22-12-8-18(9-13-22)19(23)20-14-16-4-6-17(7-5-16)15-21-10-2-3-11-21/h4-7,18H,2-3,8-15H2,1H3,(H,20,23)