N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-3-methylsulfonyl-benzamide

Systemtic Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-3-methylsulfonyl-benzamide Openeye Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-3-methylsulfonyl-benzamide CAS Name: N-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl]-N-methyl-3-methylsulfonylbenzamide IUPAC Name: N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-3-methylsulfonylbenzamide Traditional Name: N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-mesyl-N-methyl-benzamide Formula: C25H22ClN3O3S MolecularWeight: 479.97848

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)S(=O)(=O)C

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C25H22ClN3O3S/c1-28(25(30)19-7-6-10-23(15-19)33(2,31)32)16-20-17-29(22-8-4-3-5-9-22)27-24(20)18-11-13-21(26)14-12-18/h3-15,17H,16H2,1-2H3