4-methyl-N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-3,5-dinitro-benzenesulfonamide

Systemtic Name: 4-methyl-N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-3,5-dinitro-benzenesulfonamide Openeye Name: N-[4-(6-isobutoxypyridazin-3-yl)phenyl]-4-methyl-3,5-dinitro-benzenesulfonamide CAS Name: 4-methyl-N-[4-[6-(2-methylpropoxy)-3-pyridazinyl]phenyl]-3,5-dinitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-3,5-dinitrobenzenesulfonamide Traditional Name: N-[4-(6-isobutoxypyridazin-3-yl)phenyl]-4-methyl-3,5-dinitro-benzenesulfonamide Formula: C21H21N5O7S MolecularWeight: 487.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)OCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)OCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O7S/c1-13(2)12-33-21-9-8-18(22-23-21)15-4-6-16(7-5-15)24-34(31,32)17-10-19(25(27)28)14(3)20(11-17)26(29)30/h4-11,13,24H,12H2,1-3H3