[2-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-[4-(methanesulfonamido)phenyl]-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-[4-(methanesulfonamido)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(methanesulfonamido)phenyl]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-keto-2-[4-(methanesulfonamido)phenyl]ethyl] ester Formula: C17H16ClNO5S2 MolecularWeight: 413.89564

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)C2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)C2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C17H16ClNO5S2/c1-25-13-7-8-15(18)14(9-13)17(21)24-10-16(20)11-3-5-12(6-4-11)19-26(2,22)23/h3-9,19H,10H2,1-2H3