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

Systemtic Name: 4-[[1-(2-chlorophenyl)-4-methyl-5-(4-sulfamoylphenyl)pyrazol-3-yl]carbonylamino]butanoic acid Openeye Name: 4-[[1-(2-chlorophenyl)-4-methyl-5-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butanoic acid CAS Name: 4-[[[1-(2-chlorophenyl)-4-methyl-5-(4-sulfamoylphenyl)-3-pyrazolyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[1-(2-chlorophenyl)-4-methyl-5-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butanoic acid Traditional Name: 4-[[1-(2-chlorophenyl)-4-methyl-5-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butyric acid Formula: C21H21ClN4O5S MolecularWeight: 476.93324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NCCCC(=O)O)C2=CC=CC=C2Cl)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=C(N(N=C1C(=O)NCCCC(=O)O)C2=CC=CC=C2Cl)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H21ClN4O5S/c1-13-19(21(29)24-12-4-7-18(27)28)25-26(17-6-3-2-5-16(17)22)20(13)14-8-10-15(11-9-14)32(23,30)31/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,24,29)(H,27,28)(H2,23,30,31)