N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-N-[(4-chlorophenyl)methyl]methanesulfonamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-N-[(4-chlorophenyl)methyl]methanesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-N-[(4-chlorophenyl)methyl]methanesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-N-[(4-chlorophenyl)methyl]methanesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-N-[(4-chlorophenyl)methyl]methanesulfonamide Traditional Name: N-(4-chlorobenzyl)-N-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]methanesulfonamide Formula: C22H27ClN3O5S+ MolecularWeight: 480.98488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O5S/c1-32(28,29)26(14-17-2-5-19(23)6-3-17)15-22(27)25-10-8-24(9-11-25)13-18-4-7-20-21(12-18)31-16-30-20/h2-7,12H,8-11,13-16H2,1H3/p+1