[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid [6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl ester Formula: C21H21ClFN3O6S MolecularWeight: 497.924343

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC4=C(N3CCO)C=C(C=C4)Cl)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC4=C(N3CCO)C=C(C=C4)Cl)F

InChI

InChI=1S/C21H21ClFN3O6S/c22-15-2-4-17-18(12-15)26(5-8-27)20(24-17)13-32-21(28)14-1-3-16(23)19(11-14)33(29,30)25-6-9-31-10-7-25/h1-4,11-12,27H,5-10,13H2