6-(cyanomethyl)-3-(3-fluoranyl-4-methoxy-phenyl)-4-(hydroxymethyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide

Systemtic Name: 6-(cyanomethyl)-3-(3-fluoranyl-4-methoxy-phenyl)-4-(hydroxymethyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide Openeye Name: 6-(cyanomethyl)-3-(3-fluoro-4-methoxy-phenyl)-4-(hydroxymethyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide CAS Name: 6-(cyanomethyl)-3-(3-fluoro-4-methoxyphenyl)-4-(hydroxymethyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide IUPAC Name: 6-(cyanomethyl)-3-(3-fluoro-4-methoxyphenyl)-4-(hydroxymethyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide Traditional Name: 6-(cyanomethyl)-3-(3-fluoro-4-methoxy-phenyl)-4-methylol-2-(1H-pyrazol-5-yl)benzenesulfonamide Formula: C19H17FN4O4S MolecularWeight: 416.426083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=C(C=C2CO)CC#N)S(=O)(=O)N)C3=CC=NN3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=C(C=C2CO)CC#N)S(=O)(=O)N)C3=CC=NN3)F

InChI

InChI=1S/C19H17FN4O4S/c1-28-16-3-2-11(9-14(16)20)17-13(10-25)8-12(4-6-21)19(29(22,26)27)18(17)15-5-7-23-24-15/h2-3,5,7-9,25H,4,10H2,1H3,(H,23,24)(H2,22,26,27)