methyl 4-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]-5-(trifluoromethyl)thiophene-2-carboxylate

Systemtic Name: methyl 4-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]-5-(trifluoromethyl)thiophene-2-carboxylate Openeye Name: methyl 4-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]-5-(trifluoromethyl)thiophene-2-carboxylate CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]-5-(trifluoromethyl)thiophene-2-carboxylate Traditional Name: 4-[4-(piperonylsulfamoyl)phenyl]-5-(trifluoromethyl)thiophene-2-carboxylic acid methyl ester Formula: C21H16F3NO6S2 MolecularWeight: 499.48005

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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=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CC(=C(S1)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H16F3NO6S2/c1-29-20(26)18-9-15(19(32-18)21(22,23)24)13-3-5-14(6-4-13)33(27,28)25-10-12-2-7-16-17(8-12)31-11-30-16/h2-9,25H,10-11H2,1H3