1-pyridin-3-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-pyridin-3-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(3-pyridylsulfonyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-(3-pyridinylsulfonyl)-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-pyridin-3-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-(3-pyridylsulfonyl)-N-[4-(pyrrolidinomethyl)benzyl]isonipecotamide Formula: C23H30N4O3S MolecularWeight: 442.5743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H30N4O3S/c28-23(25-16-19-5-7-20(8-6-19)18-26-12-1-2-13-26)21-9-14-27(15-10-21)31(29,30)22-4-3-11-24-17-22/h3-8,11,17,21H,1-2,9-10,12-16,18H2,(H,25,28)