methyl 3-[4-[(4-cyano-3-fluoranyl-phenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propanoate

Systemtic Name: methyl 3-[4-[(4-cyano-3-fluoranyl-phenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propanoate Openeye Name: methyl 3-[4-[(4-cyano-3-fluoro-phenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propanoate CAS Name: 3-[4-[[(4-cyano-3-fluoroanilino)-oxomethyl]-(2-methylsulfonyloxyethyl)amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(4-cyano-3-fluorophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propanoate Traditional Name: 3-[4-[(4-cyano-3-fluoro-phenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propionic acid methyl ester Formula: C21H22FN3O6S MolecularWeight: 463.479283

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N(CCOS(=O)(=O)C)C(=O)NC2=CC(=C(C=C2)C#N)F

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N(CCOS(=O)(=O)C)C(=O)NC2=CC(=C(C=C2)C#N)F

InChI

InChI=1S/C21H22FN3O6S/c1-30-20(26)10-5-15-3-8-18(9-4-15)25(11-12-31-32(2,28)29)21(27)24-17-7-6-16(14-23)19(22)13-17/h3-4,6-9,13H,5,10-12H2,1-2H3,(H,24,27)