1-[(3-bromophenyl)methylsulfonyl]-N-[(3,4-diethoxyphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(3,4-diethoxyphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(3,4-diethoxyphenyl)methyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(3,4-diethoxyphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(3,4-diethoxyphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-(3,4-diethoxybenzyl)isonipecotamide Formula: C24H31BrN2O5S MolecularWeight: 539.48234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br)OCC

InChI

InChI=1S/C24H31BrN2O5S/c1-3-31-22-9-8-18(15-23(22)32-4-2)16-26-24(28)20-10-12-27(13-11-20)33(29,30)17-19-6-5-7-21(25)14-19/h5-9,14-15,20H,3-4,10-13,16-17H2,1-2H3,(H,26,28)