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

Systemtic Name: methyl 5-[3-[4-[(phenylmethyl)sulfamoyl]phenyl]propanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[3-[4-(benzylsulfamoyl)phenyl]propanoylamino]benzothiophene-2-carboxylate CAS Name: 5-[[1-oxo-3-[4-[(phenylmethyl)sulfamoyl]phenyl]propyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[3-[4-(benzylsulfamoyl)phenyl]propanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[3-[4-(benzylsulfamoyl)phenyl]propanoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C26H24N2O5S2 MolecularWeight: 508.60916

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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)NCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O5S2/c1-33-26(30)24-16-20-15-21(10-13-23(20)34-24)28-25(29)14-9-18-7-11-22(12-8-18)35(31,32)27-17-19-5-3-2-4-6-19/h2-8,10-13,15-16,27H,9,14,17H2,1H3,(H,28,29)