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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(3-bromophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(3-bromobenzyl)sulfonyl-isonipecotamide Formula: C20H21BrN2O5S MolecularWeight: 481.36014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C20H21BrN2O5S/c21-16-3-1-2-14(10-16)12-29(25,26)23-8-6-15(7-9-23)20(24)22-17-4-5-18-19(11-17)28-13-27-18/h1-5,10-11,15H,6-9,12-13H2,(H,22,24)