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

Systemtic Name: 6-(cyanomethyl)-3-(3-fluoranyl-4-methoxy-phenyl)-4-(phenylmethoxymethyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide Openeye Name: 4-(benzyloxymethyl)-6-(cyanomethyl)-3-(3-fluoro-4-methoxy-phenyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide CAS Name: 6-(cyanomethyl)-3-(3-fluoro-4-methoxyphenyl)-4-(phenylmethoxymethyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide IUPAC Name: 6-(cyanomethyl)-3-(3-fluoro-4-methoxyphenyl)-4-(phenylmethoxymethyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide Traditional Name: 4-(benzoxymethyl)-6-(cyanomethyl)-3-(3-fluoro-4-methoxy-phenyl)-2-(1H-pyrazol-5-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(C(=C(C=C2COCC3=CC=CC=C3)CC#N)S(=O)(=O)N)C4=CC=NN4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=C(C=C2COCC3=CC=CC=C3)CC#N)S(=O)(=O)N)C4=CC=NN4)F

InChI

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