(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 3-fluoranyl-4-methyl-benzoate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 3-fluoranyl-4-methyl-benzoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C22H24FN3O5S MolecularWeight: 461.506463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24FN3O5S/c1-3-26-20-7-6-17(32(28,29)25-8-10-30-11-9-25)13-19(20)24-21(26)14-31-22(27)16-5-4-15(2)18(23)12-16/h4-7,12-13H,3,8-11,14H2,1-2H3