[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C17H15ClFNO5S MolecularWeight: 399.821103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)F

InChI

InChI=1S/C17H15ClFNO5S/c1-10-3-4-11(7-15(10)19)20-16(21)9-25-17(22)13-8-12(26(2,23)24)5-6-14(13)18/h3-8H,9H2,1-2H3,(H,20,21)