[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C17H16FNO5S MolecularWeight: 365.376043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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