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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]-4-chloranyl-benzenesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-4-chloro-benzenesulfonamide CAS Name: N-[2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]-4-chlorobenzenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-4-chlorobenzenesulfonamide Traditional Name: 4-chloro-N-[2-(4-piperonylpiperazin-4-ium-1-carbonyl)phenyl]benzenesulfonamide Formula: C25H25ClN3O5S+ MolecularWeight: 515.0011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4NS(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4NS(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H24ClN3O5S/c26-19-6-8-20(9-7-19)35(31,32)27-22-4-2-1-3-21(22)25(30)29-13-11-28(12-14-29)16-18-5-10-23-24(15-18)34-17-33-23/h1-10,15,27H,11-14,16-17H2/p+1