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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC=CC=C4F

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC=CC=C4F

InChI

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