[4-(4-cyano-3-methyl-phenoxy)-5-cyclobutyl-2-(methylsulfonylmethyl)pyrazol-3-yl]methyl dihydrogen phosphate

Systemtic Name: [4-(4-cyano-3-methyl-phenoxy)-5-cyclobutyl-2-(methylsulfonylmethyl)pyrazol-3-yl]methyl dihydrogen phosphate Openeye Name: [4-(4-cyano-3-methyl-phenoxy)-5-cyclobutyl-2-(methylsulfonylmethyl)pyrazol-3-yl]methyl dihydrogen phosphate CAS Name: [4-(4-cyano-3-methylphenoxy)-5-cyclobutyl-2-(methylsulfonylmethyl)-3-pyrazolyl]methyl dihydrogen phosphate IUPAC Name: [4-(4-cyano-3-methylphenoxy)-5-cyclobutyl-2-(methylsulfonylmethyl)pyrazol-3-yl]methyl dihydrogen phosphate Traditional Name: [4-(4-cyano-3-methyl-phenoxy)-5-cyclobutyl-2-(mesylmethyl)pyrazol-3-yl]methyl dihydrogen phosphate Formula: C18H22N3O7PS MolecularWeight: 455.421941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(N(N=C2C3CCC3)CS(=O)(=O)C)COP(=O)(O)O)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(N(N=C2C3CCC3)CS(=O)(=O)C)COP(=O)(O)O)C#N

InChI

InChI=1S/C18H22N3O7PS/c1-12-8-15(7-6-14(12)9-19)28-18-16(10-27-29(22,23)24)21(11-30(2,25)26)20-17(18)13-4-3-5-13/h6-8,13H,3-5,10-11H2,1-2H3,(H2,22,23,24)