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

Systemtic Name: methyl 5-[3-[4-(cyclohexylsulfamoyl)phenyl]propanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[3-[4-(cyclohexylsulfamoyl)phenyl]propanoylamino]benzothiophene-2-carboxylate CAS Name: 5-[[3-[4-(cyclohexylsulfamoyl)phenyl]-1-oxopropyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[3-[4-(cyclohexylsulfamoyl)phenyl]propanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[3-[4-(cyclohexylsulfamoyl)phenyl]propanoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C25H28N2O5S2 MolecularWeight: 500.63022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)NC4CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)NC4CCCCC4

InChI

InChI=1S/C25H28N2O5S2/c1-32-25(29)23-16-18-15-20(10-13-22(18)33-23)26-24(28)14-9-17-7-11-21(12-8-17)34(30,31)27-19-5-3-2-4-6-19/h7-8,10-13,15-16,19,27H,2-6,9,14H2,1H3,(H,26,28)