4-[(3-chloranyl-2-oxidanylidene-4-phenyl-azetidin-1-yl)amino]-N-(4,5-dimethoxypyrimidin-2-yl)benzenesulfonamide

Systemtic Name: 4-[(3-chloranyl-2-oxidanylidene-4-phenyl-azetidin-1-yl)amino]-N-(4,5-dimethoxypyrimidin-2-yl)benzenesulfonamide Openeye Name: 4-[(3-chloro-2-oxo-4-phenyl-azetidin-1-yl)amino]-N-(4,5-dimethoxypyrimidin-2-yl)benzenesulfonamide CAS Name: 4-[(3-chloro-2-oxo-4-phenyl-1-azetidinyl)amino]-N-(4,5-dimethoxy-2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[(3-chloro-2-oxo-4-phenylazetidin-1-yl)amino]-N-(4,5-dimethoxypyrimidin-2-yl)benzenesulfonamide Traditional Name: 4-[(3-chloro-2-keto-4-phenyl-azetidin-1-yl)amino]-N-(4,5-dimethoxypyrimidin-2-yl)benzenesulfonamide Formula: C21H20ClN5O5S MolecularWeight: 489.932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1OC)NS(=O)(=O)C2=CC=C(C=C2)NN3C(C(C3=O)Cl)C4=CC=CC=C4

Isomeric SMILES

COC1=CN=C(N=C1OC)NS(=O)(=O)C2=CC=C(C=C2)NN3C(C(C3=O)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN5O5S/c1-31-16-12-23-21(24-19(16)32-2)26-33(29,30)15-10-8-14(9-11-15)25-27-18(17(22)20(27)28)13-6-4-3-5-7-13/h3-12,17-18,25H,1-2H3,(H,23,24,26)