(4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxo-ethyl]ammonium CAS Name: (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]ammonium IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: (4,5-dimethoxy-2-methyl-benzyl)-[2-keto-2-(3-mesylanilino)ethyl]-methyl-ammonium Formula: C20H27N2O5S+ MolecularWeight: 407.50378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+](C)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+](C)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)C)OC)OC

InChI

InChI=1S/C20H26N2O5S/c1-14-9-18(26-3)19(27-4)10-15(14)12-22(2)13-20(23)21-16-7-6-8-17(11-16)28(5,24)25/h6-11H,12-13H2,1-5H3,(H,21,23)/p+1