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

Systemtic Name: 5-chloranyl-N-(2,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(2,4-dimethoxyphenyl)-2-(o-tolylmethylsulfonyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(2,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(2,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(2,4-dimethoxyphenyl)-2-(2-methylbenzyl)sulfonyl-pyrimidine-4-carboxamide Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=C(C=C(C=C3)OC)OC)Cl

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=C(C=C(C=C3)OC)OC)Cl

InChI

InChI=1S/C21H20ClN3O5S/c1-13-6-4-5-7-14(13)12-31(27,28)21-23-11-16(22)19(25-21)20(26)24-17-9-8-15(29-2)10-18(17)30-3/h4-11H,12H2,1-3H3,(H,24,26)