phenyl 2-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]ethanesulfonate

Systemtic Name: phenyl 2-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]ethanesulfonate Openeye Name: phenyl 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]amino]ethanesulfonate CAS Name: 2-[methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]amino]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]ethanesulfonate Traditional Name: 2-[[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-amino]ethanesulfonic acid phenyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCS(=O)(=O)OC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CN(CCS(=O)(=O)OC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C18H22N2O4S2/c1-20(12-13-26(22,23)24-15-8-4-3-5-9-15)14-18(21)19-16-10-6-7-11-17(16)25-2/h3-11H,12-14H2,1-2H3,(H,19,21)