methyl 3-(1H-imidazol-5-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate

Systemtic Name: methyl 3-(1H-imidazol-5-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Openeye Name: methyl 3-(1H-imidazol-5-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate CAS Name: 3-(1H-imidazol-5-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-imidazol-5-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Traditional Name: 3-(1H-imidazol-5-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propionic acid methyl ester Formula: C14H14F3N3O4S MolecularWeight: 377.33887

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C(CC1=CN=CN1)NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C14H14F3N3O4S/c1-24-13(21)12(6-10-7-18-8-19-10)20-25(22,23)11-4-2-3-9(5-11)14(15,16)17/h2-5,7-8,12,20H,6H2,1H3,(H,18,19)