[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-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=CC(=C(C=C2)F)C(=O)OCC3=NC4=C(N3CCO)C=C(C=C4)Cl

Isomeric SMILES

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

InChI

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