N,N-diethyl-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzenesulfonamide CAS Name: N,N-diethyl-4-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]sulfonyl-benzenesulfonamide Formula: C22H32N3O4S2+ MolecularWeight: 466.63718

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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=CC=C3C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C22H31N3O4S2/c1-4-24(5-2)30(26,27)21-10-12-22(13-11-21)31(28,29)25-16-14-23(15-17-25)18-20-9-7-6-8-19(20)3/h6-13H,4-5,14-18H2,1-3H3/p+1