4-[5-tert-butyl-4-(chloromethyl)-3-oxidanylidene-1,2-oxazol-2-yl]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[5-tert-butyl-4-(chloromethyl)-3-oxidanylidene-1,2-oxazol-2-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[5-tert-butyl-4-(chloromethyl)-3-oxo-isoxazol-2-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[5-tert-butyl-4-(chloromethyl)-3-oxo-2-isoxazolyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[5-tert-butyl-4-(chloromethyl)-3-oxo-1,2-oxazol-2-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[5-tert-butyl-4-(chloromethyl)-3-keto-4-isoxazolin-2-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C18H24ClN3O6S MolecularWeight: 445.91766

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2C(=O)C(=C(O2)C(C)(C)C)CCl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2C(=O)C(=C(O2)C(C)(C)C)CCl)[N+](=O)[O-]

InChI

InChI=1S/C18H24ClN3O6S/c1-6-20(7-2)29(26,27)12-8-9-14(15(10-12)22(24)25)21-17(23)13(11-19)16(28-21)18(3,4)5/h8-10H,6-7,11H2,1-5H3