6-(cyanomethyl)-3-(4-methylphenyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide

Systemtic Name: 6-(cyanomethyl)-3-(4-methylphenyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide Openeye Name: 6-(cyanomethyl)-3-(p-tolyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide CAS Name: 6-(cyanomethyl)-3-(4-methylphenyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide IUPAC Name: 6-(cyanomethyl)-3-(4-methylphenyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide Traditional Name: 6-(cyanomethyl)-3-(p-tolyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O2S/c1-12-2-4-13(5-3-12)15-7-6-14(8-10-19)18(25(20,23)24)17(15)16-9-11-21-22-16/h2-7,9,11H,8H2,1H3,(H,21,22)(H2,20,23,24)