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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

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