1-[(3-bromophenyl)methylsulfonyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(2-methoxyphenyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(2-methoxyphenyl)propyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-[3-(2-methoxyphenyl)propyl]isonipecotamide Formula: C23H29BrN2O4S MolecularWeight: 509.45636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=CC=C1CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C23H29BrN2O4S/c1-30-22-10-3-2-7-19(22)8-5-13-25-23(27)20-11-14-26(15-12-20)31(28,29)17-18-6-4-9-21(24)16-18/h2-4,6-7,9-10,16,20H,5,8,11-15,17H2,1H3,(H,25,27)