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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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