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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3-chloranyl-4-methoxy-N-methyl-benzenesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-3-chloro-4-methoxy-N-methyl-benzenesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-3-chloro-4-methoxy-N-methylbenzenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-3-chloro-4-methoxy-N-methylbenzenesulfonamide Traditional Name: 3-chloro-N-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]-4-methoxy-N-methyl-benzenesulfonamide Formula: C22H27ClN3O6S+ MolecularWeight: 496.98428

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CN(CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C22H26ClN3O6S/c1-24(33(28,29)17-4-6-19(30-2)18(23)12-17)14-22(27)26-9-7-25(8-10-26)13-16-3-5-20-21(11-16)32-15-31-20/h3-6,11-12H,7-10,13-15H2,1-2H3/p+1