5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2-methyl-benzamide

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2-methyl-benzamide Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2-methyl-benzamide CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2-methylbenzamide IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-2-methylbenzamide Traditional Name: 2-methyl-5-(4-piperonylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C20H24N3O5S+ MolecularWeight: 418.48666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C(=O)N

InChI

InChI=1S/C20H23N3O5S/c1-14-2-4-16(11-17(14)20(21)24)29(25,26)23-8-6-22(7-9-23)12-15-3-5-18-19(10-15)28-13-27-18/h2-5,10-11H,6-9,12-13H2,1H3,(H2,21,24)/p+1