methyl 3-(1,3-benzodioxol-5-ylsulfamoyl)-4-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylsulfamoyl)-4-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylsulfamoyl)-4-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(1,3-benzodioxol-5-ylsulfamoyl)-4-(4-methylphenyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylsulfamoyl)-4-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(1,3-benzodioxol-5-ylsulfamoyl)-4-(p-tolyl)thiophene-2-carboxylic acid methyl ester Formula: C20H17NO6S2 MolecularWeight: 431.48208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2S(=O)(=O)NC3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2S(=O)(=O)NC3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C20H17NO6S2/c1-12-3-5-13(6-4-12)15-10-28-18(20(22)25-2)19(15)29(23,24)21-14-7-8-16-17(9-14)27-11-26-16/h3-10,21H,11H2,1-2H3