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

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 3-fluoranyl-4-methyl-benzoate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C23H26FN3O5S MolecularWeight: 475.533043

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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)C)F

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN3O5S/c1-3-8-27-21-7-6-18(33(29,30)26-9-11-31-12-10-26)14-20(21)25-22(27)15-32-23(28)17-5-4-16(2)19(24)13-17/h4-7,13-14H,3,8-12,15H2,1-2H3