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

Systemtic Name: [2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-keto-2-(tetrahydrofurfurylamino)ethyl] ester Formula: C15H18N2O8S MolecularWeight: 386.37702

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NCC2CCCO2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NCC2CCCO2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O8S/c1-26(22,23)13-5-4-10(7-12(13)17(20)21)15(19)25-9-14(18)16-8-11-3-2-6-24-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,16,18)