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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-chloranyl-N,N-diethyl-benzenesulfonamide Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-chloro-N,N-diethyl-benzenesulfonamide CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-chloro-N,N-diethylbenzenesulfonamide IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-chloro-N,N-diethylbenzenesulfonamide Traditional Name: 2-chloro-N,N-diethyl-5-(4-piperonylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C23H29ClN3O5S+ MolecularWeight: 495.01146

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C23H28ClN3O5S/c1-3-27(4-2)33(29,30)22-14-18(6-7-19(22)24)23(28)26-11-9-25(10-12-26)15-17-5-8-20-21(13-17)32-16-31-20/h5-8,13-14H,3-4,9-12,15-16H2,1-2H3/p+1