5-(5-methyl-3-oxidanylidene-4-propan-2-yl-1H-pyrazol-2-yl)-2-phenoxy-benzenesulfonate

Systemtic Name: 5-(5-methyl-3-oxidanylidene-4-propan-2-yl-1H-pyrazol-2-yl)-2-phenoxy-benzenesulfonate Openeye Name: 5-(4-isopropyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-2-phenoxy-benzenesulfonate CAS Name: 5-(5-methyl-3-oxo-4-propan-2-yl-1H-pyrazol-2-yl)-2-phenoxybenzenesulfonate IUPAC Name: 5-(5-methyl-3-oxo-4-propan-2-yl-1H-pyrazol-2-yl)-2-phenoxybenzenesulfonate Traditional Name: 5-(4-isopropyl-5-keto-3-methyl-3-pyrazolin-1-yl)-2-phenoxy-besylate Formula: C19H19N2O5S- MolecularWeight: 387.42956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)[O-])C(C)C

InChI

InChI=1S/C19H20N2O5S/c1-12(2)18-13(3)20-21(19(18)22)14-9-10-16(17(11-14)27(23,24)25)26-15-7-5-4-6-8-15/h4-12,20H,1-3H3,(H,23,24,25)/p-1