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

Systemtic Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide CAS Name: N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: N-[4-(4-piperonylpiperazin-4-ium-1-carbonyl)phenyl]benzenesulfonamide Formula: C25H26N3O5S+ MolecularWeight: 480.55604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H25N3O5S/c29-25(20-7-9-21(10-8-20)26-34(30,31)22-4-2-1-3-5-22)28-14-12-27(13-15-28)17-19-6-11-23-24(16-19)33-18-32-23/h1-11,16,26H,12-15,17-18H2/p+1