methyl 3-[2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoyloxymethyl]benzoate

Systemtic Name: methyl 3-[2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoyloxymethyl]benzoate Openeye Name: methyl 3-[[2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetyl]oxymethyl]benzoate CAS Name: 3-[[2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]-1-oxoethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetyl]oxymethyl]benzoate Traditional Name: 3-[[2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetyl]oxymethyl]benzoic acid methyl ester Formula: C18H18N2O8S2 MolecularWeight: 454.47412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O8S2/c1-27-18(22)13-5-3-4-12(8-13)11-28-17(21)10-19-30(25,26)14-6-7-16(29-2)15(9-14)20(23)24/h3-9,19H,10-11H2,1-2H3