N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzamide Formula: C21H20ClN3O3S2 MolecularWeight: 461.9848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl)C

InChI

InChI=1S/C21H20ClN3O3S2/c1-13-10-14(2)24-21(23-13)29-12-15-6-4-5-7-17(15)20(26)25-19-11-16(30(3,27)28)8-9-18(19)22/h4-11H,12H2,1-3H3,(H,25,26)