1-[(4-bromophenyl)methylsulfonyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[2-(3-pyridylmethylcarbamoyl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[2-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzyl)sulfonyl-N-[2-(3-pyridylmethylcarbamoyl)phenyl]isonipecotamide Formula: C26H27BrN4O4S MolecularWeight: 571.48598

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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=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H27BrN4O4S/c27-22-9-7-19(8-10-22)18-36(34,35)31-14-11-21(12-15-31)25(32)30-24-6-2-1-5-23(24)26(33)29-17-20-4-3-13-28-16-20/h1-10,13,16,21H,11-12,14-15,17-18H2,(H,29,33)(H,30,32)