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

Systemtic Name: 4-[5-tert-butyl-4-[(4-methanoylphenoxy)methyl]-3-oxidanylidene-1,2-oxazol-2-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[5-tert-butyl-4-[(4-formylphenoxy)methyl]-3-oxo-isoxazol-2-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[5-tert-butyl-4-[(4-formylphenoxy)methyl]-3-oxo-2-isoxazolyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[5-tert-butyl-4-[(4-formylphenoxy)methyl]-3-oxo-1,2-oxazol-2-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[5-tert-butyl-4-[(4-formylphenoxy)methyl]-3-keto-4-isoxazolin-2-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C25H29N3O8S MolecularWeight: 531.57806

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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)COC3=CC=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2C(=O)C(=C(O2)C(C)(C)C)COC3=CC=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O8S/c1-6-26(7-2)37(33,34)19-12-13-21(22(14-19)28(31)32)27-24(30)20(23(36-27)25(3,4)5)16-35-18-10-8-17(15-29)9-11-18/h8-15H,6-7,16H2,1-5H3