[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-chlorophenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-chlorophenyl)methylsulfanyl]ethanoate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 2-[(3-chlorophenyl)methylsulfanyl]acetate CAS Name: 2-[(3-chlorophenyl)methylthio]acetic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 2-[(3-chlorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(3-chlorobenzyl)thio]acetic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C18H18ClNO5S2 MolecularWeight: 427.92222

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CSCC2=CC(=CC=C2)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CSCC2=CC(=CC=C2)Cl

InChI

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