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

Systemtic Name: 4-[4-(4-chlorophenyl)-1-(cyanomethyl)-5-methyl-pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-[4-(4-chlorophenyl)-1-(cyanomethyl)-5-methyl-pyrazol-3-yl]benzenesulfonamide CAS Name: 4-[4-(4-chlorophenyl)-1-(cyanomethyl)-5-methyl-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[4-(4-chlorophenyl)-1-(cyanomethyl)-5-methylpyrazol-3-yl]benzenesulfonamide Traditional Name: 4-[4-(4-chlorophenyl)-1-(cyanomethyl)-5-methyl-pyrazol-3-yl]benzenesulfonamide Formula: C18H15ClN4O2S MolecularWeight: 386.8553

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC#N)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NN1CC#N)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN4O2S/c1-12-17(13-2-6-15(19)7-3-13)18(22-23(12)11-10-20)14-4-8-16(9-5-14)26(21,24)25/h2-9H,11H2,1H3,(H2,21,24,25)