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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-[(4-bromophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-bromobenzyl)sulfonyl-isonipecotamide Formula: C25H32BrN3O5S2 MolecularWeight: 598.57268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32BrN3O5S2/c26-22-7-5-20(6-8-22)19-35(31,32)28-17-13-21(14-18-28)25(30)27-23-9-11-24(12-10-23)36(33,34)29-15-3-1-2-4-16-29/h5-12,21H,1-4,13-19H2,(H,27,30)