4-[1-(cyanomethyl)-5-(hydroxymethyl)-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC#N)CO

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC#N)CO

InChI

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