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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-methyl-N-phenyl-benzenesulfonamide Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methyl-N-phenyl-benzenesulfonamide CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-methyl-N-phenylbenzenesulfonamide IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methyl-N-phenylbenzenesulfonamide Traditional Name: 2-methyl-N-phenyl-5-(4-piperonylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C26H28N3O5S+ MolecularWeight: 494.58262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)S(=O)(=O)NC5=CC=CC=C5

InChI

InChI=1S/C26H27N3O5S/c1-19-7-9-21(16-25(19)35(31,32)27-22-5-3-2-4-6-22)26(30)29-13-11-28(12-14-29)17-20-8-10-23-24(15-20)34-18-33-23/h2-10,15-16,27H,11-14,17-18H2,1H3/p+1