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

Systemtic Name: N,N-dibutyl-4-[4-(chloromethyl)-5-methyl-3-oxidanylidene-1,2-oxazol-2-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-dibutyl-4-[4-(chloromethyl)-5-methyl-3-oxo-isoxazol-2-yl]-3-nitro-benzenesulfonamide CAS Name: N,N-dibutyl-4-[4-(chloromethyl)-5-methyl-3-oxo-2-isoxazolyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-dibutyl-4-[4-(chloromethyl)-5-methyl-3-oxo-1,2-oxazol-2-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-dibutyl-4-[4-(chloromethyl)-3-keto-5-methyl-4-isoxazolin-2-yl]-3-nitro-benzenesulfonamide Formula: C19H26ClN3O6S MolecularWeight: 459.94424

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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)CCl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClN3O6S/c1-4-6-10-21(11-7-5-2)30(27,28)15-8-9-17(18(12-15)23(25)26)22-19(24)16(13-20)14(3)29-22/h8-9,12H,4-7,10-11,13H2,1-3H3