N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)sulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)sulfonyl-piperidine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)sulfonyl-piperidine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)sulfonyl-2-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)sulfonylpiperidine-2-carboxamide Traditional Name: 1-brosyl-N-piperonyl-pipecolinamide Formula: C20H21BrN2O5S MolecularWeight: 481.36014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(C(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H21BrN2O5S/c21-15-5-7-16(8-6-15)29(25,26)23-10-2-1-3-17(23)20(24)22-12-14-4-9-18-19(11-14)28-13-27-18/h4-9,11,17H,1-3,10,12-13H2,(H,22,24)