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

Systemtic Name: 2-chloranyl-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2-chloro-N-[3-(6-isobutoxypyridazin-3-yl)phenyl]-5-nitro-benzenesulfonamide CAS Name: 2-chloro-N-[3-[6-(2-methylpropoxy)-3-pyridazinyl]phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-5-nitrobenzenesulfonamide Traditional Name: 2-chloro-N-[3-(6-isobutoxypyridazin-3-yl)phenyl]-5-nitro-benzenesulfonamide Formula: C20H19ClN4O5S MolecularWeight: 462.90666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=NN=C(C=C1)C2=CC(=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)COC1=NN=C(C=C1)C2=CC(=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H19ClN4O5S/c1-13(2)12-30-20-9-8-18(22-23-20)14-4-3-5-15(10-14)24-31(28,29)19-11-16(25(26)27)6-7-17(19)21/h3-11,13,24H,12H2,1-2H3