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

Systemtic Name: methyl 5-[3-[4-(dimethylsulfamoyl)phenyl]propanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[3-[4-(dimethylsulfamoyl)phenyl]propanoylamino]benzothiophene-2-carboxylate CAS Name: 5-[[3-[4-(dimethylsulfamoyl)phenyl]-1-oxopropyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[3-[4-(dimethylsulfamoyl)phenyl]propanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[3-[4-(dimethylsulfamoyl)phenyl]propanoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S2/c1-23(2)30(26,27)17-8-4-14(5-9-17)6-11-20(24)22-16-7-10-18-15(12-16)13-19(29-18)21(25)28-3/h4-5,7-10,12-13H,6,11H2,1-3H3,(H,22,24)