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

Systemtic Name: N-[5-(2-bromanyl-5-methoxy-phenoxy)-6-chloranyl-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide Openeye Name: N-[5-(2-bromo-5-methoxy-phenoxy)-6-chloro-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide CAS Name: N-[5-(2-bromo-5-methoxyphenoxy)-6-chloro-4-pyrimidinyl]-4-tert-butylbenzenesulfonamide IUPAC Name: N-[5-(2-bromo-5-methoxyphenoxy)-6-chloropyrimidin-4-yl]-4-tert-butylbenzenesulfonamide Traditional Name: N-[5-(2-bromo-5-methoxy-phenoxy)-6-chloro-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide Formula: C21H21BrClN3O4S MolecularWeight: 526.83114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)Cl)OC3=C(C=CC(=C3)OC)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)Cl)OC3=C(C=CC(=C3)OC)Br

InChI

InChI=1S/C21H21BrClN3O4S/c1-21(2,3)13-5-8-15(9-6-13)31(27,28)26-20-18(19(23)24-12-25-20)30-17-11-14(29-4)7-10-16(17)22/h5-12H,1-4H3,(H,24,25,26)