2-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N,N-dimethyl-ethanamine

Systemtic Name: 2-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N,N-dimethyl-ethanamine Openeye Name: 2-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N,N-dimethyl-ethanamine CAS Name: 2-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1-pyrazolyl]-N,N-dimethylethanamine IUPAC Name: 2-[4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N,N-dimethylethanamine Traditional Name: 2-[4-(4-chlorophenyl)-3-(4-mesylphenyl)pyrazol-1-yl]ethyl-dimethyl-amine Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)CCN1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-23(2)12-13-24-14-19(15-4-8-17(21)9-5-15)20(22-24)16-6-10-18(11-7-16)27(3,25)26/h4-11,14H,12-13H2,1-3H3