3-(2-fluoranyl-4-methylsulfonyl-phenoxy)-N-(1-methylpyrazol-3-yl)-5-[(2S)-1-oxidanylbutan-2-yl]oxy-benzamide

Systemtic Name: 3-(2-fluoranyl-4-methylsulfonyl-phenoxy)-N-(1-methylpyrazol-3-yl)-5-[(2S)-1-oxidanylbutan-2-yl]oxy-benzamide Openeye Name: 3-(2-fluoro-4-methylsulfonyl-phenoxy)-5-[(1S)-1-(hydroxymethyl)propoxy]-N-(1-methylpyrazol-3-yl)benzamide CAS Name: 3-(2-fluoro-4-methylsulfonylphenoxy)-5-[(2S)-1-hydroxybutan-2-yl]oxy-N-(1-methyl-3-pyrazolyl)benzamide IUPAC Name: 3-(2-fluoro-4-methylsulfonylphenoxy)-5-[(2S)-1-hydroxybutan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide Traditional Name: 3-(2-fluoro-4-mesyl-phenoxy)-5-[(1S)-1-methylolpropoxy]-N-(1-methylpyrazol-3-yl)benzamide Formula: C22H24FN3O6S MolecularWeight: 477.505863

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)OC1=CC(=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)F)C(=O)NC3=NN(C=C3)C

Isomeric SMILES

CC[C@@H](CO)OC1=CC(=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)F)C(=O)NC3=NN(C=C3)C

InChI

InChI=1S/C22H24FN3O6S/c1-4-15(13-27)31-16-9-14(22(28)24-21-7-8-26(2)25-21)10-17(11-16)32-20-6-5-18(12-19(20)23)33(3,29)30/h5-12,15,27H,4,13H2,1-3H3,(H,24,25,28)/t15-/m0/s1