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

Systemtic Name: N,N-diethyl-3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-diethyl-3-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N,N-diethyl-3-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[4-(3-methylbenzyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-4-26(5-2)30(28,29)22-11-7-10-21(17-22)23(27)25-14-12-24(13-15-25)18-20-9-6-8-19(3)16-20/h6-11,16-17H,4-5,12-15,18H2,1-3H3/p+1