5-chloranyl-N-(4-ethoxyphenyl)-2-ethylsulfonyl-N-(phenylmethyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4-ethoxyphenyl)-2-ethylsulfonyl-N-(phenylmethyl)pyrimidine-4-carboxamide Openeye Name: N-benzyl-5-chloro-N-(4-ethoxyphenyl)-2-ethylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(4-ethoxyphenyl)-2-ethylsulfonyl-N-(phenylmethyl)-4-pyrimidinecarboxamide IUPAC Name: N-benzyl-5-chloro-N-(4-ethoxyphenyl)-2-ethylsulfonylpyrimidine-4-carboxamide Traditional Name: N-benzyl-5-chloro-2-esyl-N-p-phenetyl-pyrimidine-4-carboxamide Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC

InChI

InChI=1S/C22H22ClN3O4S/c1-3-30-18-12-10-17(11-13-18)26(15-16-8-6-5-7-9-16)21(27)20-19(23)14-24-22(25-20)31(28,29)4-2/h5-14H,3-4,15H2,1-2H3