2-chloranyl-3-[[3-(chloromethyl)-1,2-oxazol-5-yl]methyl]-4-methylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-3-[[3-(chloromethyl)-1,2-oxazol-5-yl]methyl]-4-methylsulfonyl-benzamide Openeye Name: 2-chloro-3-[[3-(chloromethyl)isoxazol-5-yl]methyl]-4-methylsulfonyl-benzamide CAS Name: 2-chloro-3-[[3-(chloromethyl)-5-isoxazolyl]methyl]-4-methylsulfonylbenzamide IUPAC Name: 2-chloro-3-[[3-(chloromethyl)-1,2-oxazol-5-yl]methyl]-4-methylsulfonylbenzamide Traditional Name: 2-chloro-3-[[3-(chloromethyl)isoxazol-5-yl]methyl]-4-mesyl-benzamide Formula: C13H12Cl2N2O4S MolecularWeight: 363.21638

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)N)Cl)CC2=CC(=NO2)CCl

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)N)Cl)CC2=CC(=NO2)CCl

InChI

InChI=1S/C13H12Cl2N2O4S/c1-22(19,20)11-3-2-9(13(16)18)12(15)10(11)5-8-4-7(6-14)17-21-8/h2-4H,5-6H2,1H3,(H2,16,18)