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

Systemtic Name: 2-[5-tert-butyl-4-[(4-methanoylphenoxy)methyl]-3-oxidanylidene-1,2-oxazol-2-yl]-N-(4-methyloctadecyl)-N-nitro-benzenesulfonamide Openeye Name: 2-[5-tert-butyl-4-[(4-formylphenoxy)methyl]-3-oxo-isoxazol-2-yl]-N-(4-methyloctadecyl)-N-nitro-benzenesulfonamide CAS Name: 2-[5-tert-butyl-4-[(4-formylphenoxy)methyl]-3-oxo-2-isoxazolyl]-N-(4-methyloctadecyl)-N-nitrobenzenesulfonamide IUPAC Name: 2-[5-tert-butyl-4-[(4-formylphenoxy)methyl]-3-oxo-1,2-oxazol-2-yl]-N-(4-methyloctadecyl)-N-nitrobenzenesulfonamide Traditional Name: 2-[5-tert-butyl-4-[(4-formylphenoxy)methyl]-3-keto-4-isoxazolin-2-yl]-N-(4-methyloctadecyl)-N-nitro-benzenesulfonamide Formula: C40H59N3O8S MolecularWeight: 741.97676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)CCCN([N+](=O)[O-])S(=O)(=O)C1=CC=CC=C1N2C(=O)C(=C(O2)C(C)(C)C)COC3=CC=C(C=C3)C=O

Isomeric SMILES

CCCCCCCCCCCCCCC(C)CCCN([N+](=O)[O-])S(=O)(=O)C1=CC=CC=C1N2C(=O)C(=C(O2)C(C)(C)C)COC3=CC=C(C=C3)C=O

InChI

InChI=1S/C40H59N3O8S/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-32(2)22-20-29-41(43(46)47)52(48,49)37-24-19-18-23-36(37)42-39(45)35(38(51-42)40(3,4)5)31-50-34-27-25-33(30-44)26-28-34/h18-19,23-28,30,32H,6-17,20-22,29,31H2,1-5H3