methyl 4-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]-5-(trifluoromethyl)thiophene-2-carboxylate

Systemtic Name: methyl 4-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]-5-(trifluoromethyl)thiophene-2-carboxylate Openeye Name: methyl 4-[4-(3-pyridylmethylsulfamoyl)phenyl]-5-(trifluoromethyl)thiophene-2-carboxylate CAS Name: 4-[4-(3-pyridinylmethylsulfamoyl)phenyl]-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]-5-(trifluoromethyl)thiophene-2-carboxylate Traditional Name: 4-[4-(3-pyridylmethylsulfamoyl)phenyl]-5-(trifluoromethyl)thiophene-2-carboxylic acid methyl ester Formula: C19H15F3N2O4S2 MolecularWeight: 456.45861

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)NCC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(S1)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C19H15F3N2O4S2/c1-28-18(25)16-9-15(17(29-16)19(20,21)22)13-4-6-14(7-5-13)30(26,27)24-11-12-3-2-8-23-10-12/h2-10,24H,11H2,1H3