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

Systemtic Name: 3-(4-chlorophenyl)-6-(cyanomethyl)-4-(hydroxymethyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide Openeye Name: 3-(4-chlorophenyl)-6-(cyanomethyl)-4-(hydroxymethyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide CAS Name: 3-(4-chlorophenyl)-6-(cyanomethyl)-4-(hydroxymethyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide IUPAC Name: 3-(4-chlorophenyl)-6-(cyanomethyl)-4-(hydroxymethyl)-2-(1H-pyrazol-5-yl)benzenesulfonamide Traditional Name: 3-(4-chlorophenyl)-6-(cyanomethyl)-4-methylol-2-(1H-pyrazol-5-yl)benzenesulfonamide Formula: C18H15ClN4O3S MolecularWeight: 402.8547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=C(C=C2CO)CC#N)S(=O)(=O)N)C3=CC=NN3)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=C(C=C2CO)CC#N)S(=O)(=O)N)C3=CC=NN3)Cl

InChI

InChI=1S/C18H15ClN4O3S/c19-14-3-1-11(2-4-14)16-13(10-24)9-12(5-7-20)18(27(21,25)26)17(16)15-6-8-22-23-15/h1-4,6,8-9,24H,5,10H2,(H,22,23)(H2,21,25,26)