1-[(4-bromophenyl)methylsulfonyl]-N-(4-chloranyl-2,5-dimethoxy-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(4-chloranyl-2,5-dimethoxy-phenyl)piperidine-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(4-chloro-2,5-dimethoxy-phenyl)piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(4-chloro-2,5-dimethoxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methylsulfonyl]-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzyl)sulfonyl-N-(4-chloro-2,5-dimethoxy-phenyl)isonipecotamide Formula: C21H24BrClN2O5S MolecularWeight: 531.84766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br)OC)Cl

InChI

InChI=1S/C21H24BrClN2O5S/c1-29-19-12-18(20(30-2)11-17(19)23)24-21(26)15-7-9-25(10-8-15)31(27,28)13-14-3-5-16(22)6-4-14/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,24,26)