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

Systemtic Name: methyl 2-[[5-(4-methylsulfanylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]carbonylamino]-4-methylsulfinyl-butanoate Openeye Name: methyl 2-[[5-(4-methylsulfanylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]-4-methylsulfinyl-butanoate CAS Name: 4-methylsulfinyl-2-[[[5-[4-(methylthio)phenyl]-1-(4-sulfamoylphenyl)-3-pyrazolyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[[5-(4-methylsulfanylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]-4-methylsulfinylbutanoate Traditional Name: 4-methylsulfinyl-2-[[5-[4-(methylthio)phenyl]-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butyric acid methyl ester Formula: C23H26N4O6S3 MolecularWeight: 550.67074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCS(=O)C)NC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

COC(=O)C(CCS(=O)C)NC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C23H26N4O6S3/c1-33-23(29)19(12-13-35(3)30)25-22(28)20-14-21(15-4-8-17(34-2)9-5-15)27(26-20)16-6-10-18(11-7-16)36(24,31)32/h4-11,14,19H,12-13H2,1-3H3,(H,25,28)(H2,24,31,32)