N-[2-(azepan-1-ylcarbonyl)phenyl]-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-1-[(4-bromophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-1-(4-bromobenzyl)sulfonyl-isonipecotamide Formula: C26H32BrN3O4S MolecularWeight: 562.51898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC=C(C=C4)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C26H32BrN3O4S/c27-22-11-9-20(10-12-22)19-35(33,34)30-17-13-21(14-18-30)25(31)28-24-8-4-3-7-23(24)26(32)29-15-5-1-2-6-16-29/h3-4,7-12,21H,1-2,5-6,13-19H2,(H,28,31)