4-tert-butyl-N-(4-chloranyl-2-purin-9-yl-phenyl)benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-(4-chloranyl-2-purin-9-yl-phenyl)benzenesulfonamide Openeye Name: 4-tert-butyl-N-(4-chloro-2-purin-9-yl-phenyl)benzenesulfonamide CAS Name: 4-tert-butyl-N-[4-chloro-2-(9-purinyl)phenyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-(4-chloro-2-purin-9-ylphenyl)benzenesulfonamide Traditional Name: 4-tert-butyl-N-(4-chloro-2-purin-9-yl-phenyl)benzenesulfonamide Formula: C21H20ClN5O2S MolecularWeight: 441.9338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)N3C=NC4=CN=CN=C43

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)N3C=NC4=CN=CN=C43

InChI

InChI=1S/C21H20ClN5O2S/c1-21(2,3)14-4-7-16(8-5-14)30(28,29)26-17-9-6-15(22)10-19(17)27-13-25-18-11-23-12-24-20(18)27/h4-13,26H,1-3H3