2-[[5-(4-methylsulfanylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]carbonylamino]-4-methylsulfinyl-butanoic acid

Systemtic Name: 2-[[5-(4-methylsulfanylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]carbonylamino]-4-methylsulfinyl-butanoic acid Openeye Name: 2-[[5-(4-methylsulfanylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]-4-methylsulfinyl-butanoic acid CAS Name: 4-methylsulfinyl-2-[[[5-[4-(methylthio)phenyl]-1-(4-sulfamoylphenyl)-3-pyrazolyl]-oxomethyl]amino]butanoic acid IUPAC Name: 2-[[5-(4-methylsulfanylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]-4-methylsulfinylbutanoic acid Traditional Name: 4-methylsulfinyl-2-[[5-[4-(methylthio)phenyl]-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butyric acid Formula: C22H24N4O6S3 MolecularWeight: 536.64416

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(=O)NC(CCS(=O)C)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(=O)NC(CCS(=O)C)C(=O)O

InChI

InChI=1S/C22H24N4O6S3/c1-33-16-7-3-14(4-8-16)20-13-19(21(27)24-18(22(28)29)11-12-34(2)30)25-26(20)15-5-9-17(10-6-15)35(23,31)32/h3-10,13,18H,11-12H2,1-2H3,(H,24,27)(H,28,29)(H2,23,31,32)