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

Systemtic Name: 4-methylsulfanyl-2-[[5-(4-methylsulfanylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[5-(4-methylsulfanylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[[5-[4-(methylthio)phenyl]-1-(4-sulfamoylphenyl)-3-pyrazolyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[5-(4-methylsulfanylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[5-[4-(methylthio)phenyl]-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butyric acid Formula: C22H24N4O5S3 MolecularWeight: 520.64476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O5S3/c1-32-12-11-18(22(28)29)24-21(27)19-13-20(14-3-7-16(33-2)8-4-14)26(25-19)15-5-9-17(10-6-15)34(23,30)31/h3-10,13,18H,11-12H2,1-2H3,(H,24,27)(H,28,29)(H2,23,30,31)