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

Systemtic Name: 3-[[4-[1-ethyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[4-[1-ethyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]benzoyl]amino]benzoic acid CAS Name: 3-[[[4-[1-ethyl-5-(trifluoromethylsulfonyl)-2-benzimidazolyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4-[1-ethyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]benzoyl]amino]benzoic acid Traditional Name: 3-[[4-(1-ethyl-5-triflyl-benzimidazol-2-yl)benzoyl]amino]benzoic acid Formula: C24H18F3N3O5S MolecularWeight: 517.47703

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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)O

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)O

InChI

InChI=1S/C24H18F3N3O5S/c1-2-30-20-11-10-18(36(34,35)24(25,26)27)13-19(20)29-21(30)14-6-8-15(9-7-14)22(31)28-17-5-3-4-16(12-17)23(32)33/h3-13H,2H2,1H3,(H,28,31)(H,32,33)