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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3C

InChI

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