N-(3,5-dimethylphenyl)-4-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(3,5-dimethylphenyl)-4-methyl-benzenesulfonamide CAS Name: N-(3,5-dimethylphenyl)-4-methyl-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(3,5-dimethylphenyl)-4-methylbenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(3,5-dimethylphenyl)-4-methyl-benzenesulfonamide Formula: C28H34N3O3S+ MolecularWeight: 492.65286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C4=CC(=CC(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C28H33N3O3S/c1-22-9-11-27(12-10-22)35(33,34)31(26-18-23(2)17-24(3)19-26)21-28(32)30-15-13-29(14-16-30)20-25-7-5-4-6-8-25/h4-12,17-19H,13-16,20-21H2,1-3H3/p+1