N-[6-chloranyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]-4-(2,2-dimethylpropyl)benzenesulfonamide

Systemtic Name: N-[6-chloranyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]-4-(2,2-dimethylpropyl)benzenesulfonamide Openeye Name: N-[6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-yl]-4-(2,2-dimethylpropyl)benzenesulfonamide CAS Name: N-[6-chloro-5-(2-methoxyphenoxy)-4-pyrimidinyl]-4-(2,2-dimethylpropyl)benzenesulfonamide IUPAC Name: N-[6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-yl]-4-(2,2-dimethylpropyl)benzenesulfonamide Traditional Name: N-[6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-yl]-4-neopentyl-benzenesulfonamide Formula: C22H24ClN3O4S MolecularWeight: 461.96166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)Cl)OC3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)Cl)OC3=CC=CC=C3OC

InChI

InChI=1S/C22H24ClN3O4S/c1-22(2,3)13-15-9-11-16(12-10-15)31(27,28)26-21-19(20(23)24-14-25-21)30-18-8-6-5-7-17(18)29-4/h5-12,14H,13H2,1-4H3,(H,24,25,26)