4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide Traditional Name: 4-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]sulfonyl-N,N-diethyl-benzenesulfonamide Formula: C21H29ClN3O4S2+ MolecularWeight: 487.05566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN3O4S2/c1-3-24(4-2)30(26,27)20-9-11-21(12-10-20)31(28,29)25-15-13-23(14-16-25)17-18-5-7-19(22)8-6-18/h5-12H,3-4,13-17H2,1-2H3/p+1