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

Systemtic Name: 4-[5-tert-butyl-4-(chloromethyl)-3-oxidanylidene-1,2-oxazol-2-yl]-N,N-dimethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[5-tert-butyl-4-(chloromethyl)-3-oxo-isoxazol-2-yl]-N,N-dimethyl-3-nitro-benzenesulfonamide CAS Name: 4-[5-tert-butyl-4-(chloromethyl)-3-oxo-2-isoxazolyl]-N,N-dimethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[5-tert-butyl-4-(chloromethyl)-3-oxo-1,2-oxazol-2-yl]-N,N-dimethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[5-tert-butyl-4-(chloromethyl)-3-keto-4-isoxazolin-2-yl]-N,N-dimethyl-3-nitro-benzenesulfonamide Formula: C16H20ClN3O6S MolecularWeight: 417.8645

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=O)N(O1)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-])CCl

Isomeric SMILES

CC(C)(C)C1=C(C(=O)N(O1)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-])CCl

InChI

InChI=1S/C16H20ClN3O6S/c1-16(2,3)14-11(9-17)15(21)19(26-14)12-7-6-10(8-13(12)20(22)23)27(24,25)18(4)5/h6-8H,9H2,1-5H3