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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-chloranyl-N-ethyl-benzenesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-4-chloro-N-ethyl-benzenesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-4-chloro-N-ethylbenzenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-4-chloro-N-ethylbenzenesulfonamide Traditional Name: 4-chloro-N-ethyl-N-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]benzenesulfonamide Formula: C22H27ClN3O5S+ MolecularWeight: 480.98488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCN(CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H26ClN3O5S/c1-2-26(32(28,29)19-6-4-18(23)5-7-19)15-22(27)25-11-9-24(10-12-25)14-17-3-8-20-21(13-17)31-16-30-20/h3-8,13H,2,9-12,14-16H2,1H3/p+1