N-(2,4-dimethoxyphenyl)-N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(2,4-dimethoxyphenyl)benzenesulfonamide CAS Name: N-(2,4-dimethoxyphenyl)-N-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)benzenesulfonamide Traditional Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(2,4-dimethoxyphenyl)benzenesulfonamide Formula: C33H36N3O5S+ MolecularWeight: 586.72104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N(CC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N(CC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C33H35N3O5S/c1-40-28-18-19-30(31(24-28)41-2)36(42(38,39)29-16-10-5-11-17-29)25-32(37)34-20-22-35(23-21-34)33(26-12-6-3-7-13-26)27-14-8-4-9-15-27/h3-19,24,33H,20-23,25H2,1-2H3/p+1