2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2-chloranyl-5-methylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2-chloranyl-5-methylsulfonyl-phenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2-chloro-5-methylsulfonyl-phenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-(2-chloro-5-methylsulfonylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(2-chloro-5-methylsulfonylphenyl)acetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C21H25ClN3O5S+ MolecularWeight: 466.9583

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24ClN3O5S/c1-31(27,28)16-3-4-17(22)18(11-16)23-21(26)13-25-8-6-24(7-9-25)12-15-2-5-19-20(10-15)30-14-29-19/h2-5,10-11H,6-9,12-14H2,1H3,(H,23,26)/p+1