(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 3,4-bis(fluoranyl)benzoate

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 3,4-bis(fluoranyl)benzoate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl 3,4-difluorobenzoate CAS Name: 3,4-difluorobenzoic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl 3,4-difluorobenzoate Traditional Name: 3,4-difluorobenzoic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C22H23F2N3O5S MolecularWeight: 479.496926

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC(=C(C=C4)F)F

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C22H23F2N3O5S/c1-2-7-27-20-6-4-16(33(29,30)26-8-10-31-11-9-26)13-19(20)25-21(27)14-32-22(28)15-3-5-17(23)18(24)12-15/h3-6,12-13H,2,7-11,14H2,1H3