N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-methylsulfinyl-benzamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-methylsulfinyl-benzamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-methylsulfinyl-benzamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-methylsulfinylbenzamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-methylsulfinylbenzamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-methylsulfinyl-benzamide Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC=C(C=C2)S(=O)C)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC=C(C=C2)S(=O)C)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20N2O6S/c1-25-16-10-13(15(20(22)23)11-17(16)26-2)8-9-19-18(21)12-4-6-14(7-5-12)27(3)24/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)