[1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate

Systemtic Name: [1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate Openeye Name: [2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(4-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H16FNO5S MolecularWeight: 365.376043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

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