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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5S2/c1-23(2,3)25-32(28,29)18-9-5-15(6-10-18)7-12-21(26)24-17-8-11-19-16(13-17)14-20(31-19)22(27)30-4/h5-6,8-11,13-14,25H,7,12H2,1-4H3,(H,24,26)