[2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-1-phenyl-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(4-fluoroanilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H18FNO5S MolecularWeight: 427.445423

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H18FNO5S/c1-30(27,28)19-13-7-16(8-14-19)22(26)29-20(15-5-3-2-4-6-15)21(25)24-18-11-9-17(23)10-12-18/h2-14,20H,1H3,(H,24,25)