(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 4-fluoranylbenzoate

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 4-fluoranylbenzoate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C22H24FN3O5S MolecularWeight: 461.506463

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H24FN3O5S/c1-2-9-26-20-8-7-18(32(28,29)25-10-12-30-13-11-25)14-19(20)24-21(26)15-31-22(27)16-3-5-17(23)6-4-16/h3-8,14H,2,9-13,15H2,1H3