1-[(3-bromophenyl)methylsulfonyl]-N-[2-[(phenylmethyl)carbamoyl]phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-[(phenylmethyl)carbamoyl]phenyl]piperidine-4-carboxamide Openeye Name: N-[2-(benzylcarbamoyl)phenyl]-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-[oxo-[(phenylmethyl)amino]methyl]phenyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(benzylcarbamoyl)phenyl]-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[2-(benzylcarbamoyl)phenyl]-1-(3-bromobenzyl)sulfonyl-isonipecotamide Formula: C27H28BrN3O4S MolecularWeight: 570.49792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28BrN3O4S/c28-23-10-6-9-21(17-23)19-36(34,35)31-15-13-22(14-16-31)26(32)30-25-12-5-4-11-24(25)27(33)29-18-20-7-2-1-3-8-20/h1-12,17,22H,13-16,18-19H2,(H,29,33)(H,30,32)