4-[3-(4-methylphenyl)-5-[3-(methylsulfonylamino)phenyl]-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-(4-methylphenyl)-5-[3-(methylsulfonylamino)phenyl]-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-[3-(methanesulfonamido)phenyl]-3-(p-tolyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-[3-(methanesulfonamido)phenyl]-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-[3-(methanesulfonamido)phenyl]-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[3-[3-(methanesulfonamido)phenyl]-5-(p-tolyl)-2-pyrazolin-1-yl]butyric acid Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC(=CC=C3)NS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)O)C3=CC(=CC=C3)NS(=O)(=O)C

InChI

InChI=1S/C21H23N3O5S/c1-14-6-8-15(9-7-14)19-13-18(22-24(19)20(25)10-11-21(26)27)16-4-3-5-17(12-16)23-30(2,28)29/h3-9,12,19,23H,10-11,13H2,1-2H3,(H,26,27)