4-tert-butyl-N-(4-chloranyl-2-pyrimidin-4-ylcarbonyl-phenyl)benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-(4-chloranyl-2-pyrimidin-4-ylcarbonyl-phenyl)benzenesulfonamide Openeye Name: 4-tert-butyl-N-[4-chloro-2-(pyrimidine-4-carbonyl)phenyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[4-chloro-2-[oxo(4-pyrimidinyl)methyl]phenyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[4-chloro-2-(pyrimidine-4-carbonyl)phenyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[4-chloro-2-(pyrimidine-4-carbonyl)phenyl]benzenesulfonamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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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)C(=O)C3=NC=NC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=NC=NC=C3

InChI

InChI=1S/C21H20ClN3O3S/c1-21(2,3)14-4-7-16(8-5-14)29(27,28)25-18-9-6-15(22)12-17(18)20(26)19-10-11-23-13-24-19/h4-13,25H,1-3H3