[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C17H16FNO5S MolecularWeight: 365.376043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C)F

InChI

InChI=1S/C17H16FNO5S/c1-11-6-7-12(8-15(11)18)17(21)24-10-16(20)19-13-4-3-5-14(9-13)25(2,22)23/h3-9H,10H2,1-2H3,(H,19,20)