3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C21H22FN3O6S MolecularWeight: 463.479283

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCN3C4=CC=CC=C4NC3=O)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCN3C4=CC=CC=C4NC3=O)F

InChI

InChI=1S/C21H22FN3O6S/c22-16-7-6-15(14-19(16)32(28,29)24-9-12-30-13-10-24)20(26)31-11-3-8-25-18-5-2-1-4-17(18)23-21(25)27/h1-2,4-7,14H,3,8-13H2,(H,23,27)