1-[(4-bromophenyl)methylsulfonyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[3-(m-tolyl)propyl]piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[3-(3-methylphenyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzyl)sulfonyl-N-[3-(m-tolyl)propyl]isonipecotamide Formula: C23H29BrN2O3S MolecularWeight: 493.45696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=CC=C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H29BrN2O3S/c1-18-4-2-5-19(16-18)6-3-13-25-23(27)21-11-14-26(15-12-21)30(28,29)17-20-7-9-22(24)10-8-20/h2,4-5,7-10,16,21H,3,6,11-15,17H2,1H3,(H,25,27)