4-tert-butyl-N-[5-(2-chloranyl-5-methoxy-phenoxy)-6-methanoyl-pyrimidin-4-yl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[5-(2-chloranyl-5-methoxy-phenoxy)-6-methanoyl-pyrimidin-4-yl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[5-(2-chloro-5-methoxy-phenoxy)-6-formyl-pyrimidin-4-yl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[5-(2-chloro-5-methoxyphenoxy)-6-formyl-4-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[5-(2-chloro-5-methoxyphenoxy)-6-formylpyrimidin-4-yl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[5-(2-chloro-5-methoxy-phenoxy)-6-formyl-pyrimidin-4-yl]benzenesulfonamide Formula: C22H22ClN3O5S MolecularWeight: 475.94518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NC=NC(=C2OC3=C(C=CC(=C3)OC)Cl)C=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NC=NC(=C2OC3=C(C=CC(=C3)OC)Cl)C=O

InChI

InChI=1S/C22H22ClN3O5S/c1-22(2,3)14-5-8-16(9-6-14)32(28,29)26-21-20(18(12-27)24-13-25-21)31-19-11-15(30-4)7-10-17(19)23/h5-13H,1-4H3,(H,24,25,26)