N,N-dibutyl-4-(5-methyl-3-oxidanylidene-1,2-oxazol-2-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N,N-dibutyl-4-(5-methyl-3-oxidanylidene-1,2-oxazol-2-yl)-3-nitro-benzenesulfonamide Openeye Name: N,N-dibutyl-4-(5-methyl-3-oxo-isoxazol-2-yl)-3-nitro-benzenesulfonamide CAS Name: N,N-dibutyl-4-(5-methyl-3-oxo-2-isoxazolyl)-3-nitrobenzenesulfonamide IUPAC Name: N,N-dibutyl-4-(5-methyl-3-oxo-1,2-oxazol-2-yl)-3-nitrobenzenesulfonamide Traditional Name: N,N-dibutyl-4-(3-keto-5-methyl-4-isoxazolin-2-yl)-3-nitro-benzenesulfonamide Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)C1=CC(=C(C=C1)N2C(=O)C=C(O2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC(=C(C=C1)N2C(=O)C=C(O2)C)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O6S/c1-4-6-10-19(11-7-5-2)28(25,26)15-8-9-16(17(13-15)21(23)24)20-18(22)12-14(3)27-20/h8-9,12-13H,4-7,10-11H2,1-3H3