[2-(cyclohexylcarbonylamino)-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-(cyclohexylcarbonylamino)-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-(cyclohexanecarbonylamino)-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-[[cyclohexyl(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-(cyclohexanecarbonylamino)-2-keto-ethyl] ester Formula: C17H20N2O8S MolecularWeight: 412.4143

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)C2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)C2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O8S/c1-28(25,26)14-8-7-12(9-13(14)19(23)24)17(22)27-10-15(20)18-16(21)11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,18,20,21)