[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H23FN2O7S MolecularWeight: 466.479923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O7S/c1-14-3-5-16(12-17(14)22)23-20(25)13-31-21(26)15-4-6-18(29-2)19(11-15)32(27,28)24-7-9-30-10-8-24/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,25)