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

Systemtic Name: 4-tert-butyl-N-[6-chloranyl-5-(2-methoxyphenyl)sulfanyl-2-methyl-pyrimidin-4-yl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[6-chloro-5-(2-methoxyphenyl)sulfanyl-2-methyl-pyrimidin-4-yl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[6-chloro-5-[(2-methoxyphenyl)thio]-2-methyl-4-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[6-chloro-5-(2-methoxyphenyl)sulfanyl-2-methylpyrimidin-4-yl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[6-chloro-5-[(2-methoxyphenyl)thio]-2-methyl-pyrimidin-4-yl]benzenesulfonamide Formula: C22H24ClN3O3S2 MolecularWeight: 478.02726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)Cl)SC2=CC=CC=C2OC)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=NC(=C(C(=N1)Cl)SC2=CC=CC=C2OC)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H24ClN3O3S2/c1-14-24-20(23)19(30-18-9-7-6-8-17(18)29-5)21(25-14)26-31(27,28)16-12-10-15(11-13-16)22(2,3)4/h6-13H,1-5H3,(H,24,25,26)