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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(1-ethylpiperidin-1-ium-4-yl)benzamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(1-ethylpiperidin-1-ium-4-yl)benzamide CAS Name: 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(1-ethyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(1-ethylpiperidin-1-ium-4-yl)benzamide Traditional Name: N-(1-ethylpiperidin-1-ium-4-yl)-3-(piperonylsulfamoyl)benzamide Formula: C22H28N3O5S+ MolecularWeight: 446.53982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-2-25-10-8-18(9-11-25)24-22(26)17-4-3-5-19(13-17)31(27,28)23-14-16-6-7-20-21(12-16)30-15-29-20/h3-7,12-13,18,23H,2,8-11,14-15H2,1H3,(H,24,26)/p+1