methyl 3-(ethylsulfonylamino)-5-[[3-(6-fluoranyl-1H-benzimidazol-2-yl)propanoylamino]methyl]benzoate

Systemtic Name: methyl 3-(ethylsulfonylamino)-5-[[3-(6-fluoranyl-1H-benzimidazol-2-yl)propanoylamino]methyl]benzoate Openeye Name: methyl 3-(ethylsulfonylamino)-5-[[3-(6-fluoro-1H-benzimidazol-2-yl)propanoylamino]methyl]benzoate CAS Name: 3-(ethylsulfonylamino)-5-[[[3-(6-fluoro-1H-benzimidazol-2-yl)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(ethylsulfonylamino)-5-[[3-(6-fluoro-1H-benzimidazol-2-yl)propanoylamino]methyl]benzoate Traditional Name: 3-(esylamino)-5-[[3-(6-fluoro-1H-benzimidazol-2-yl)propanoylamino]methyl]benzoic acid methyl ester Formula: C21H23FN4O5S MolecularWeight: 462.494523

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC(=CC(=C1)CNC(=O)CCC2=NC3=C(N2)C=C(C=C3)F)C(=O)OC

Isomeric SMILES

CCS(=O)(=O)NC1=CC(=CC(=C1)CNC(=O)CCC2=NC3=C(N2)C=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C21H23FN4O5S/c1-3-32(29,30)26-16-9-13(8-14(10-16)21(28)31-2)12-23-20(27)7-6-19-24-17-5-4-15(22)11-18(17)25-19/h4-5,8-11,26H,3,6-7,12H2,1-2H3,(H,23,27)(H,24,25)