2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-(4-methylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-(4-methylsulfonylphenyl)ethanamide Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-N-(4-methylsulfonylphenyl)acetamide IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide Traditional Name: N-(4-mesylphenyl)-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C17H18N2O6S2 MolecularWeight: 410.46462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6S2/c1-25-16-8-3-12(9-15(16)19(21)22)10-26-11-17(20)18-13-4-6-14(7-5-13)27(2,23)24/h3-9H,10-11H2,1-2H3,(H,18,20)