[2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 3-methylsulfonylpropanoate

Systemtic Name: [2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 3-methylsulfonylpropanoate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxo-ethyl] 3-methylsulfonylpropanoate CAS Name: 3-methylsulfonylpropanoic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] 3-methylsulfonylpropanoate Traditional Name: 3-mesylpropionic acid [2-[2-[(4-chlorophenyl)thio]anilino]-2-keto-ethyl] ester Formula: C18H18ClNO5S2 MolecularWeight: 427.92222

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(=O)OCC(=O)NC1=CC=CC=C1SC2=CC=C(C=C2)Cl

Isomeric SMILES

CS(=O)(=O)CCC(=O)OCC(=O)NC1=CC=CC=C1SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClNO5S2/c1-27(23,24)11-10-18(22)25-12-17(21)20-15-4-2-3-5-16(15)26-14-8-6-13(19)7-9-14/h2-9H,10-12H2,1H3,(H,20,21)