5-chloranyl-N-(2,5-dimethoxyphenyl)-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(2,5-dimethoxyphenyl)-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfonyl-5-chloro-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(2,5-dimethoxyphenyl)-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfonyl-5-chloro-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide Traditional Name: 2-benzylsulfonyl-5-chloro-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide Formula: C20H18ClN3O5S MolecularWeight: 447.89202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H18ClN3O5S/c1-28-14-8-9-17(29-2)16(10-14)23-19(25)18-15(21)11-22-20(24-18)30(26,27)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,23,25)