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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(=C2C3=CC=C(C=C3)Cl)CO)CC#N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C(=C2C3=CC=C(C=C3)Cl)CO)CC#N)S(=O)(=O)N

InChI

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