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

Systemtic Name: 6-(cyanomethyl)-3-(3-fluoranyl-4-methyl-phenyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide Openeye Name: 6-(cyanomethyl)-3-(3-fluoro-4-methyl-phenyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide CAS Name: 6-(cyanomethyl)-3-(3-fluoro-4-methylphenyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide IUPAC Name: 6-(cyanomethyl)-3-(3-fluoro-4-methylphenyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide Traditional Name: 6-(cyanomethyl)-3-(3-fluoro-4-methyl-phenyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide Formula: C18H15FN4O2S MolecularWeight: 370.400703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C(=C(C=C2)CC#N)S(=O)(=O)N)C3=CC=NN3)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C(=C(C=C2)CC#N)S(=O)(=O)N)C3=CC=NN3)F

InChI

InChI=1S/C18H15FN4O2S/c1-11-2-3-13(10-15(11)19)14-5-4-12(6-8-20)18(26(21,24)25)17(14)16-7-9-22-23-16/h2-5,7,9-10H,6H2,1H3,(H,22,23)(H2,21,24,25)