N-(2-chloranyl-5-methylsulfonyl-phenyl)-4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-4-(4-chloro-2-nitrophenoxy)-3-methoxybenzamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-4-(4-chloro-2-nitrophenoxy)-3-methoxybenzamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzamide Formula: C21H16Cl2N2O7S MolecularWeight: 511.33194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16Cl2N2O7S/c1-31-20-9-12(21(26)24-16-11-14(33(2,29)30)5-6-15(16)23)3-7-19(20)32-18-8-4-13(22)10-17(18)25(27)28/h3-11H,1-2H3,(H,24,26)