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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-N-ethyl-benzenesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-N-ethyl-benzenesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-N-ethylbenzenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-N-ethylbenzenesulfonamide Traditional Name: N-ethyl-N-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]benzenesulfonamide Formula: C22H28N3O5S+ MolecularWeight: 446.53982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-2-25(31(27,28)19-6-4-3-5-7-19)16-22(26)24-12-10-23(11-13-24)15-18-8-9-20-21(14-18)30-17-29-20/h3-9,14H,2,10-13,15-17H2,1H3/p+1