methyl 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylcarbamoylsulfamoyl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylcarbamoylsulfamoyl)phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(3-pyridylcarbamoylsulfamoyl)benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[4-[[oxo-(3-pyridinylamino)methyl]sulfamoyl]-2-phenylphenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-phenyl-4-(pyridin-3-ylcarbamoylsulfamoyl)benzoyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-(3-pyridylcarbamoylsulfamoyl)benzoyl]amino]butyric acid methyl ester Formula: C25H26N4O6S2 MolecularWeight: 542.62714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)S(=O)(=O)NC(=O)NC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)S(=O)(=O)NC(=O)NC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H26N4O6S2/c1-35-24(31)22(12-14-36-2)28-23(30)20-11-10-19(15-21(20)17-7-4-3-5-8-17)37(33,34)29-25(32)27-18-9-6-13-26-16-18/h3-11,13,15-16,22H,12,14H2,1-2H3,(H,28,30)(H2,27,29,32)