N,N-diethyl-4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]sulfonyl-benzenesulfonamide CAS Name: N,N-diethyl-4-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-(3-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(=C3)C

Isomeric SMILES

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

InChI

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