methyl 3-pyrrol-1-yl-5-(trifluoromethylsulfonylamino)benzoate

Systemtic Name: methyl 3-pyrrol-1-yl-5-(trifluoromethylsulfonylamino)benzoate Openeye Name: methyl 3-pyrrol-1-yl-5-(trifluoromethylsulfonylamino)benzoate CAS Name: 3-(1-pyrrolyl)-5-(trifluoromethylsulfonylamino)benzoic acid methyl ester IUPAC Name: methyl 3-pyrrol-1-yl-5-(trifluoromethylsulfonylamino)benzoate Traditional Name: 3-pyrrol-1-yl-5-(triflylamino)benzoic acid methyl ester Formula: C13H11F3N2O4S MolecularWeight: 348.29765

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C(F)(F)F)N2C=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C(F)(F)F)N2C=CC=C2

InChI

InChI=1S/C13H11F3N2O4S/c1-22-12(19)9-6-10(17-23(20,21)13(14,15)16)8-11(7-9)18-4-2-3-5-18/h2-8,17H,1H3