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

Systemtic Name: 6-(cyanomethyl)-4-(hydroxymethyl)-3-(4-methylphenyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide Openeye Name: 6-(cyanomethyl)-4-(hydroxymethyl)-3-(p-tolyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide CAS Name: 6-(cyanomethyl)-4-(hydroxymethyl)-3-(4-methylphenyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide IUPAC Name: 6-(cyanomethyl)-4-(hydroxymethyl)-3-(4-methylphenyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide Traditional Name: 6-(cyanomethyl)-4-methylol-3-(p-tolyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C(C=C2CO)CC#N)S(=O)(=O)N)C3=CC=NN3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C(C=C2CO)CC#N)S(=O)(=O)N)C3=CC=NN3

InChI

InChI=1S/C19H18N4O3S/c1-12-2-4-13(5-3-12)17-15(11-24)10-14(6-8-20)19(27(21,25)26)18(17)16-7-9-22-23-16/h2-5,7,9-10,24H,6,11H2,1H3,(H,22,23)(H2,21,25,26)