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

Systemtic Name: 4-[1-(cyanomethyl)-4-(3-fluoranyl-4-methoxy-phenyl)-5-(phenylmethoxymethyl)pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-[5-(benzyloxymethyl)-1-(cyanomethyl)-4-(3-fluoro-4-methoxy-phenyl)pyrazol-3-yl]benzenesulfonamide CAS Name: 4-[1-(cyanomethyl)-4-(3-fluoro-4-methoxyphenyl)-5-(phenylmethoxymethyl)-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[1-(cyanomethyl)-4-(3-fluoro-4-methoxyphenyl)-5-(phenylmethoxymethyl)pyrazol-3-yl]benzenesulfonamide Traditional Name: 4-[5-(benzoxymethyl)-1-(cyanomethyl)-4-(3-fluoro-4-methoxy-phenyl)pyrazol-3-yl]benzenesulfonamide Formula: C26H23FN4O4S MolecularWeight: 506.548623

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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)COCC4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC#N)COCC4=CC=CC=C4)F

InChI

InChI=1S/C26H23FN4O4S/c1-34-24-12-9-20(15-22(24)27)25-23(17-35-16-18-5-3-2-4-6-18)31(14-13-28)30-26(25)19-7-10-21(11-8-19)36(29,32)33/h2-12,15H,14,16-17H2,1H3,(H2,29,32,33)