4-[1-(cyanomethyl)-4-(3-fluoranyl-4-methoxy-phenyl)-5-(hydroxymethyl)pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-[1-(cyanomethyl)-4-(3-fluoranyl-4-methoxy-phenyl)-5-(hydroxymethyl)pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-[1-(cyanomethyl)-4-(3-fluoro-4-methoxy-phenyl)-5-(hydroxymethyl)pyrazol-3-yl]benzenesulfonamide CAS Name: 4-[1-(cyanomethyl)-4-(3-fluoro-4-methoxyphenyl)-5-(hydroxymethyl)-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[1-(cyanomethyl)-4-(3-fluoro-4-methoxyphenyl)-5-(hydroxymethyl)pyrazol-3-yl]benzenesulfonamide Traditional Name: 4-[1-(cyanomethyl)-4-(3-fluoro-4-methoxy-phenyl)-5-methylol-pyrazol-3-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(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC#N)CO)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC#N)CO)F

InChI

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