1-[(3-bromophenyl)methylsulfonyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(3,5-dimethyl-1-piperidyl)propyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-[3-(3,5-dimethylpiperidino)propyl]isonipecotamide Formula: C23H36BrN3O3S MolecularWeight: 514.51924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1CC(CN(C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C23H36BrN3O3S/c1-18-13-19(2)16-26(15-18)10-4-9-25-23(28)21-7-11-27(12-8-21)31(29,30)17-20-5-3-6-22(24)14-20/h3,5-6,14,18-19,21H,4,7-13,15-17H2,1-2H3,(H,25,28)