N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: 1-brosyl-N-piperonyl-nipecotamide Formula: C20H21BrN2O5S MolecularWeight: 481.36014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21BrN2O5S/c21-16-4-6-17(7-5-16)29(25,26)23-9-1-2-15(12-23)20(24)22-11-14-3-8-18-19(10-14)28-13-27-18/h3-8,10,15H,1-2,9,11-13H2,(H,22,24)