methyl 2-[[4-[(2-azanylpyridin-3-yl)carbonylsulfamoyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-[(2-azanylpyridin-3-yl)carbonylsulfamoyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[(2-aminopyridine-3-carbonyl)sulfamoyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[[(2-amino-3-pyridinyl)-oxomethyl]sulfamoyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(2-aminopyridine-3-carbonyl)sulfamoyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[(2-aminonicotinoyl)sulfamoyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C25H26N4O6S2 MolecularWeight: 542.62714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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