methyl 5-[2-[4-(butylsulfamoyl)-2-chloranyl-phenoxy]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[4-(butylsulfamoyl)-2-chloranyl-phenoxy]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[4-(butylsulfamoyl)-2-chloro-phenoxy]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[4-(butylsulfamoyl)-2-chlorophenoxy]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[4-(butylsulfamoyl)-2-chlorophenoxy]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[4-(butylsulfamoyl)-2-chloro-phenoxy]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H23ClN2O6S2 MolecularWeight: 511.01082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)Cl

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)Cl

InChI

InChI=1S/C22H23ClN2O6S2/c1-3-4-9-24-33(28,29)16-6-7-18(17(23)12-16)31-13-21(26)25-15-5-8-19-14(10-15)11-20(32-19)22(27)30-2/h5-8,10-12,24H,3-4,9,13H2,1-2H3,(H,25,26)