methyl 5-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[3-[4-(isobutylsulfamoyl)phenyl]propanoylamino]benzothiophene-2-carboxylate CAS Name: 5-[[3-[4-(2-methylpropylsulfamoyl)phenyl]-1-oxopropyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[3-[4-(isobutylsulfamoyl)phenyl]propanoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H26N2O5S2 MolecularWeight: 474.59294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC

Isomeric SMILES

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC

InChI

InChI=1S/C23H26N2O5S2/c1-15(2)14-24-32(28,29)19-8-4-16(5-9-19)6-11-22(26)25-18-7-10-20-17(12-18)13-21(31-20)23(27)30-3/h4-5,7-10,12-13,15,24H,6,11,14H2,1-3H3,(H,25,26)