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

Systemtic Name: methyl 4-methylsulfanyl-2-[[5-(4-methylsulfanylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[5-(4-methylsulfanylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[[5-[4-(methylthio)phenyl]-1-(4-sulfamoylphenyl)-3-pyrazolyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[5-(4-methylsulfanylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[5-[4-(methylthio)phenyl]-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butyric acid methyl ester Formula: C23H26N4O5S3 MolecularWeight: 534.67134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H26N4O5S3/c1-32-23(29)19(12-13-33-2)25-22(28)20-14-21(15-4-8-17(34-3)9-5-15)27(26-20)16-6-10-18(11-7-16)35(24,30)31/h4-11,14,19H,12-13H2,1-3H3,(H,25,28)(H2,24,30,31)