5-chloranyl-N-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methylsulfonyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methylsulfonyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(2,4-dimethylphenyl)-2-(2-fluorobenzyl)sulfonyl-pyrimidine-4-carboxamide Formula: C20H17ClFN3O3S MolecularWeight: 433.883683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3F)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3F)C

InChI

InChI=1S/C20H17ClFN3O3S/c1-12-7-8-17(13(2)9-12)24-19(26)18-15(21)10-23-20(25-18)29(27,28)11-14-5-3-4-6-16(14)22/h3-10H,11H2,1-2H3,(H,24,26)