methyl 3-[3-[[4-(trifluoromethyloxy)phenyl]sulfonylamino]propanoylamino]benzoate

Systemtic Name: methyl 3-[3-[[4-(trifluoromethyloxy)phenyl]sulfonylamino]propanoylamino]benzoate Openeye Name: methyl 3-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzoate CAS Name: 3-[[1-oxo-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzoate Traditional Name: 3-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzoic acid methyl ester Formula: C18H17F3N2O6S MolecularWeight: 446.39759

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C18H17F3N2O6S/c1-28-17(25)12-3-2-4-13(11-12)23-16(24)9-10-22-30(26,27)15-7-5-14(6-8-15)29-18(19,20)21/h2-8,11,22H,9-10H2,1H3,(H,23,24)