[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-chlorophenyl)thiazol-4-yl]methyl 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [2-(4-chlorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid [2-(4-chlorophenyl)thiazol-4-yl]methyl ester Formula: C21H18ClFN2O5S2 MolecularWeight: 496.959423

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC3=CSC(=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)OCC3=CSC(=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClFN2O5S2/c22-15-3-1-14(2-4-15)20-24-16(13-31-20)12-30-21(26)18-11-17(5-6-19(18)23)32(27,28)25-7-9-29-10-8-25/h1-6,11,13H,7-10,12H2