1-[(3-bromophenyl)methylsulfonyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(1-piperidyl)propyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(1-piperidinyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-(3-piperidinopropyl)isonipecotamide Formula: C21H32BrN3O3S MolecularWeight: 486.46608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCN(CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H32BrN3O3S/c22-20-7-4-6-18(16-20)17-29(27,28)25-14-8-19(9-15-25)21(26)23-10-5-13-24-11-2-1-3-12-24/h4,6-7,16,19H,1-3,5,8-15,17H2,(H,23,26)