[2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-(2-chloro-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [2-[2-chloro-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-(2-chloro-5-morpholinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C20H20ClFN2O6S MolecularWeight: 470.899003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl)F

InChI

InChI=1S/C20H20ClFN2O6S/c1-13-2-3-14(10-17(13)22)20(26)30-12-19(25)23-18-11-15(4-5-16(18)21)31(27,28)24-6-8-29-9-7-24/h2-5,10-11H,6-9,12H2,1H3,(H,23,25)