5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-chloranyl-N-(2-methoxyphenyl)benzenesulfonamide

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-chloranyl-N-(2-methoxyphenyl)benzenesulfonamide Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-chloro-N-(2-methoxyphenyl)benzenesulfonamide CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-chloro-N-(2-methoxyphenyl)benzenesulfonamide IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-chloro-N-(2-methoxyphenyl)benzenesulfonamide Traditional Name: 2-chloro-N-(2-methoxyphenyl)-5-(4-piperonylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C26H27ClN3O6S+ MolecularWeight: 545.02708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C26H26ClN3O6S/c1-34-22-5-3-2-4-21(22)28-37(32,33)25-15-19(7-8-20(25)27)26(31)30-12-10-29(11-13-30)16-18-6-9-23-24(14-18)36-17-35-23/h2-9,14-15,28H,10-13,16-17H2,1H3/p+1