2-[1-[(4-chloranyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-5-morpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 2-[1-[(4-chloranyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-5-morpholin-4-ylsulfonyl-benzoic acid Openeye Name: 2-[2-(4-chloro-2-fluoro-anilino)-1-methyl-2-oxo-ethoxy]-5-morpholinosulfonyl-benzoic acid CAS Name: 2-[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl]oxy-5-(4-morpholinylsulfonyl)benzoic acid IUPAC Name: 2-[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl]oxy-5-morpholin-4-ylsulfonylbenzoic acid Traditional Name: 2-[2-(4-chloro-2-fluoro-anilino)-2-keto-1-methyl-ethoxy]-5-morpholinosulfonyl-benzoic acid Formula: C20H20ClFN2O7S MolecularWeight: 486.898403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Cl)F)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Cl)F)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

InChI

InChI=1S/C20H20ClFN2O7S/c1-12(19(25)23-17-4-2-13(21)10-16(17)22)31-18-5-3-14(11-15(18)20(26)27)32(28,29)24-6-8-30-9-7-24/h2-5,10-12H,6-9H2,1H3,(H,23,25)(H,26,27)