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

Systemtic Name: N-(4-acetamidophenyl)-5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide Openeye Name: N-(4-acetamidophenyl)-5-chloro-2-(m-tolylmethylsulfonyl)pyrimidine-4-carboxamide CAS Name: N-(4-acetamidophenyl)-5-chloro-2-[(3-methylphenyl)methylsulfonyl]-4-pyrimidinecarboxamide IUPAC Name: N-(4-acetamidophenyl)-5-chloro-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide Traditional Name: N-(4-acetamidophenyl)-5-chloro-2-(3-methylbenzyl)sulfonyl-pyrimidine-4-carboxamide Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)NC(=O)C)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)NC(=O)C)Cl

InChI

InChI=1S/C21H19ClN4O4S/c1-13-4-3-5-15(10-13)12-31(29,30)21-23-11-18(22)19(26-21)20(28)25-17-8-6-16(7-9-17)24-14(2)27/h3-11H,12H2,1-2H3,(H,24,27)(H,25,28)