5-chloranyl-N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(2-ethoxyphenyl)-2-(m-tolylmethylsulfonyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfonyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(3-methylbenzyl)sulfonyl-N-o-phenetyl-pyrimidine-4-carboxamide Formula: C21H20ClN3O4S MolecularWeight: 445.9192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC(=C3)C

InChI

InChI=1S/C21H20ClN3O4S/c1-3-29-18-10-5-4-9-17(18)24-20(26)19-16(22)12-23-21(25-19)30(27,28)13-15-8-6-7-14(2)11-15/h4-12H,3,13H2,1-2H3,(H,24,26)