5-chloranyl-N-(3,4-dimethylphenyl)-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(3,4-dimethylphenyl)-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfonyl-5-chloro-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(3,4-dimethylphenyl)-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfonyl-5-chloro-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide Traditional Name: 2-benzylsulfonyl-5-chloro-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O3S/c1-13-8-9-16(10-14(13)2)23-19(25)18-17(21)11-22-20(24-18)28(26,27)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,23,25)