2-chloranyl-N-[4-(2,6-dimethoxypyrimidin-4-yl)oxybut-2-ynyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-[4-(2,6-dimethoxypyrimidin-4-yl)oxybut-2-ynyl]-5-nitro-benzenesulfonamide Openeye Name: 2-chloro-N-[4-(2,6-dimethoxypyrimidin-4-yl)oxybut-2-ynyl]-5-nitro-benzenesulfonamide CAS Name: 2-chloro-N-[4-[(2,6-dimethoxy-4-pyrimidinyl)oxy]but-2-ynyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-chloro-N-[4-(2,6-dimethoxypyrimidin-4-yl)oxybut-2-ynyl]-5-nitrobenzenesulfonamide Traditional Name: 2-chloro-N-[4-(2,6-dimethoxypyrimidin-4-yl)oxybut-2-ynyl]-5-nitro-benzenesulfonamide Formula: C16H15ClN4O7S MolecularWeight: 442.8309

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC)OCC#CCNS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC(=NC(=N1)OC)OCC#CCNS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN4O7S/c1-26-14-10-15(20-16(19-14)27-2)28-8-4-3-7-18-29(24,25)13-9-11(21(22)23)5-6-12(13)17/h5-6,9-10,18H,7-8H2,1-2H3