2-(2,5-dimethylphenyl)sulfonylethyl-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-(2,5-dimethylphenyl)sulfonylethyl-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-(2,5-dimethylphenyl)sulfonylethyl-[2-(3-methoxyanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(2,5-dimethylphenyl)sulfonylethyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylammonium IUPAC Name: 2-(2,5-dimethylphenyl)sulfonylethyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium Traditional Name: 2-(2,5-dimethylphenyl)sulfonylethyl-[2-keto-2-(m-anisidino)ethyl]-methyl-ammonium Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+](C)CC(=O)NC2=CC(=CC=C2)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+](C)CC(=O)NC2=CC(=CC=C2)OC

InChI

InChI=1S/C20H26N2O4S/c1-15-8-9-16(2)19(12-15)27(24,25)11-10-22(3)14-20(23)21-17-6-5-7-18(13-17)26-4/h5-9,12-13H,10-11,14H2,1-4H3,(H,21,23)/p+1