4-methyl-3,5-dinitro-N-[3-(6-oxidanylidenepyridazin-1-yl)propyl]benzenesulfonamide

Systemtic Name: 4-methyl-3,5-dinitro-N-[3-(6-oxidanylidenepyridazin-1-yl)propyl]benzenesulfonamide Openeye Name: 4-methyl-3,5-dinitro-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide CAS Name: 4-methyl-3,5-dinitro-N-[3-(6-oxo-1-pyridazinyl)propyl]benzenesulfonamide IUPAC Name: 4-methyl-3,5-dinitro-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide Traditional Name: N-[3-(6-ketopyridazin-1-yl)propyl]-4-methyl-3,5-dinitro-benzenesulfonamide Formula: C14H15N5O7S MolecularWeight: 397.3632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCCN2C(=O)C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NCCCN2C(=O)C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O7S/c1-10-12(18(21)22)8-11(9-13(10)19(23)24)27(25,26)16-6-3-7-17-14(20)4-2-5-15-17/h2,4-5,8-9,16H,3,6-7H2,1H3