[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C22H25FN2O6S MolecularWeight: 464.507103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)F

InChI

InChI=1S/C22H25FN2O6S/c1-16-2-6-18(14-20(16)23)24-21(26)15-31-22(27)9-5-17-3-7-19(8-4-17)32(28,29)25-10-12-30-13-11-25/h2-4,6-8,14H,5,9-13,15H2,1H3,(H,24,26)