1-(phenylmethyl)sulfonyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(phenylmethyl)sulfonyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[2-(3-pyridylmethylcarbamoyl)phenyl]piperidine-4-carboxamide CAS Name: N-[2-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[2-(3-pyridylmethylcarbamoyl)phenyl]isonipecotamide Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2C(=O)NCC3=CN=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O4S/c31-25(22-12-15-30(16-13-22)35(33,34)19-20-7-2-1-3-8-20)29-24-11-5-4-10-23(24)26(32)28-18-21-9-6-14-27-17-21/h1-11,14,17,22H,12-13,15-16,18-19H2,(H,28,32)(H,29,31)