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

Systemtic Name: 4-[5-[4-(methylsulfonylamino)phenyl]-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-[4-(methanesulfonamido)phenyl]-3-(2-thienyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-[4-(methanesulfonamido)phenyl]-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-[4-(methanesulfonamido)phenyl]-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[3-[4-(methanesulfonamido)phenyl]-5-(2-thienyl)-2-pyrazolin-1-yl]butyric acid Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)CCC(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)CCC(=O)O

InChI

InChI=1S/C18H19N3O5S2/c1-28(25,26)20-13-6-4-12(5-7-13)14-11-15(16-3-2-10-27-16)21(19-14)17(22)8-9-18(23)24/h2-7,10,15,20H,8-9,11H2,1H3,(H,23,24)