N-(4-methyloctadecyl)-N-nitro-2-(3-oxidanylidene-1,2-oxazol-4-yl)benzenesulfonamide

Systemtic Name: N-(4-methyloctadecyl)-N-nitro-2-(3-oxidanylidene-1,2-oxazol-4-yl)benzenesulfonamide Openeye Name: N-(4-methyloctadecyl)-N-nitro-2-(3-oxoisoxazol-4-yl)benzenesulfonamide CAS Name: N-(4-methyloctadecyl)-N-nitro-2-(3-oxo-4-isoxazolyl)benzenesulfonamide IUPAC Name: N-(4-methyloctadecyl)-N-nitro-2-(3-oxo-1,2-oxazol-4-yl)benzenesulfonamide Traditional Name: 2-(3-keto-4-isoxazolin-4-yl)-N-(4-methyloctadecyl)-N-nitro-benzenesulfonamide Formula: C28H45N3O6S MolecularWeight: 551.7384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)CCCN([N+](=O)[O-])S(=O)(=O)C1=CC=CC=C1C2=CONC2=O

Isomeric SMILES

CCCCCCCCCCCCCCC(C)CCCN([N+](=O)[O-])S(=O)(=O)C1=CC=CC=C1C2=CONC2=O

InChI

InChI=1S/C28H45N3O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-24(2)19-17-22-30(31(33)34)38(35,36)27-21-16-15-20-25(27)26-23-37-29-28(26)32/h15-16,20-21,23-24H,3-14,17-19,22H2,1-2H3,(H,29,32)