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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

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