4-tert-butyl-2-chloranyl-3-(4-methoxyphenyl)-N-pyrimidin-4-yl-benzenesulfonamide

Systemtic Name: 4-tert-butyl-2-chloranyl-3-(4-methoxyphenyl)-N-pyrimidin-4-yl-benzenesulfonamide Openeye Name: 4-tert-butyl-2-chloro-3-(4-methoxyphenyl)-N-pyrimidin-4-yl-benzenesulfonamide CAS Name: 4-tert-butyl-2-chloro-3-(4-methoxyphenyl)-N-(4-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-tert-butyl-2-chloro-3-(4-methoxyphenyl)-N-pyrimidin-4-ylbenzenesulfonamide Traditional Name: 4-tert-butyl-2-chloro-3-(4-methoxyphenyl)-N-(4-pyrimidyl)benzenesulfonamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3S/c1-21(2,3)16-9-10-17(29(26,27)25-18-11-12-23-13-24-18)20(22)19(16)14-5-7-15(28-4)8-6-14/h5-13H,1-4H3,(H,23,24,25)