ethyl 3-[[4-[1-ethyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[4-[1-ethyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]phenyl]carbonylamino]benzoate Openeye Name: ethyl 3-[[4-[1-ethyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]benzoyl]amino]benzoate CAS Name: 3-[[[4-[1-ethyl-5-(trifluoromethylsulfonyl)-2-benzimidazolyl]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[1-ethyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]benzoyl]amino]benzoate Traditional Name: 3-[[4-(1-ethyl-5-triflyl-benzimidazol-2-yl)benzoyl]amino]benzoic acid ethyl ester Formula: C26H22F3N3O5S MolecularWeight: 545.53019

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)N=C1C3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)OCC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)N=C1C3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)OCC

InChI

InChI=1S/C26H22F3N3O5S/c1-3-32-22-13-12-20(38(35,36)26(27,28)29)15-21(22)31-23(32)16-8-10-17(11-9-16)24(33)30-19-7-5-6-18(14-19)25(34)37-4-2/h5-15H,3-4H2,1-2H3,(H,30,33)