[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-fluoranyl-benzoate Openeye Name: [2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 4-chloro-2-fluoro-benzoate CAS Name: 4-chloro-2-fluorobenzoic acid [2-[3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate Traditional Name: 4-chloro-2-fluoro-benzoic acid [2-keto-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C19H18ClFN2O6S MolecularWeight: 456.872423

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=C(C=C(C=C3)Cl)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)C3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C19H18ClFN2O6S/c20-13-4-5-16(17(21)10-13)19(25)29-12-18(24)22-14-2-1-3-15(11-14)30(26,27)23-6-8-28-9-7-23/h1-5,10-11H,6-9,12H2,(H,22,24)