5-chloranyl-N-[(4-methylphenyl)methyl]-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[(4-methylphenyl)methyl]-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfonyl-5-chloro-N-(p-tolylmethyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(4-methylphenyl)methyl]-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfonyl-5-chloro-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide Traditional Name: 2-benzylsulfonyl-5-chloro-N-(4-methylbenzyl)pyrimidine-4-carboxamide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H18ClN3O3S/c1-14-7-9-15(10-8-14)11-22-19(25)18-17(21)12-23-20(24-18)28(26,27)13-16-5-3-2-4-6-16/h2-10,12H,11,13H2,1H3,(H,22,25)