4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazin-4-ium-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(dimethylsulfamoyl)phenyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazin-4-ium-1-carboxamide Traditional Name: N-[4-(dimethylsulfamoyl)phenyl]-4-piperonyl-piperazin-4-ium-1-carboxamide Formula: C21H27N4O5S+ MolecularWeight: 447.52788

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N4O5S/c1-23(2)31(27,28)18-6-4-17(5-7-18)22-21(26)25-11-9-24(10-12-25)14-16-3-8-19-20(13-16)30-15-29-19/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,26)/p+1