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

Systemtic Name: 4-tert-butyl-N-[6-chloranyl-5-(2-methylsulfanylphenoxy)pyrimidin-4-yl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[6-chloro-5-(2-methylsulfanylphenoxy)pyrimidin-4-yl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[6-chloro-5-[2-(methylthio)phenoxy]-4-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[6-chloro-5-(2-methylsulfanylphenoxy)pyrimidin-4-yl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[6-chloro-5-[2-(methylthio)phenoxy]pyrimidin-4-yl]benzenesulfonamide Formula: C21H22ClN3O3S2 MolecularWeight: 464.00068

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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=CC=CC=C3SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)Cl)OC3=CC=CC=C3SC

InChI

InChI=1S/C21H22ClN3O3S2/c1-21(2,3)14-9-11-15(12-10-14)30(26,27)25-20-18(19(22)23-13-24-20)28-16-7-5-6-8-17(16)29-4/h5-13H,1-4H3,(H,23,24,25)