(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 5-chloranyl-2-fluoranyl-benzoate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 5-chloranyl-2-fluoranyl-benzoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 5-chloro-2-fluoro-benzoate CAS Name: 5-chloro-2-fluorobenzoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 5-chloro-2-fluorobenzoate Traditional Name: 5-chloro-2-fluoro-benzoic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C21H21ClFN3O5S MolecularWeight: 481.924943

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=C(C=CC(=C4)Cl)F

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=C(C=CC(=C4)Cl)F

InChI

InChI=1S/C21H21ClFN3O5S/c1-2-26-19-6-4-15(32(28,29)25-7-9-30-10-8-25)12-18(19)24-20(26)13-31-21(27)16-11-14(22)3-5-17(16)23/h3-6,11-12H,2,7-10,13H2,1H3