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

Systemtic Name: 6-(cyanomethyl)-3-(3-fluoranyl-4-methoxy-phenyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide Openeye Name: 6-(cyanomethyl)-3-(3-fluoro-4-methoxy-phenyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide CAS Name: 6-(cyanomethyl)-3-(3-fluoro-4-methoxyphenyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide IUPAC Name: 6-(cyanomethyl)-3-(3-fluoro-4-methoxyphenyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide Traditional Name: 6-(cyanomethyl)-3-(3-fluoro-4-methoxy-phenyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide Formula: C18H15FN4O3S MolecularWeight: 386.400103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15FN4O3S/c1-26-16-5-3-12(10-14(16)19)13-4-2-11(6-8-20)18(27(21,24)25)17(13)15-7-9-22-23-15/h2-5,7,9-10H,6H2,1H3,(H,22,23)(H2,21,24,25)