3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(1-methylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(1-methylpiperidin-1-ium-4-yl)benzamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(1-methylpiperidin-1-ium-4-yl)benzamide CAS Name: 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(1-methyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(1-methylpiperidin-1-ium-4-yl)benzamide Traditional Name: N-(1-methylpiperidin-1-ium-4-yl)-3-(piperonylsulfamoyl)benzamide Formula: C21H26N3O5S+ MolecularWeight: 432.51324

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O5S/c1-24-9-7-17(8-10-24)23-21(25)16-3-2-4-18(12-16)30(26,27)22-13-15-5-6-19-20(11-15)29-14-28-19/h2-6,11-12,17,22H,7-10,13-14H2,1H3,(H,23,25)/p+1