N-(2-ethylphenyl)-4-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide

Systemtic Name: N-(2-ethylphenyl)-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-(2-ethylphenyl)-4-methyl-benzenesulfonamide CAS Name: N-(2-ethylphenyl)-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-(2-ethylphenyl)-4-methylbenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(2-ethylphenyl)-4-methyl-benzenesulfonamide Formula: C28H34N3O3S+ MolecularWeight: 492.65286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC=CC=C1N(CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

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