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

Systemtic Name: 2-methyl-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-5-nitro-benzenesulfonamide Openeye Name: N-[3-(6-isobutoxypyridazin-3-yl)phenyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[3-[6-(2-methylpropoxy)-3-pyridazinyl]phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-5-nitrobenzenesulfonamide Traditional Name: N-[3-(6-isobutoxypyridazin-3-yl)phenyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5S/c1-14(2)13-30-21-10-9-19(22-23-21)16-5-4-6-17(11-16)24-31(28,29)20-12-18(25(26)27)8-7-15(20)3/h4-12,14,24H,13H2,1-3H3