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

Systemtic Name: N-(4-acetamidophenyl)-5-chloranyl-2-(phenylmethyl)sulfonyl-pyrimidine-4-carboxamide Openeye Name: N-(4-acetamidophenyl)-2-benzylsulfonyl-5-chloro-pyrimidine-4-carboxamide CAS Name: N-(4-acetamidophenyl)-5-chloro-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxamide IUPAC Name: N-(4-acetamidophenyl)-2-benzylsulfonyl-5-chloropyrimidine-4-carboxamide Traditional Name: N-(4-acetamidophenyl)-2-benzylsulfonyl-5-chloro-pyrimidine-4-carboxamide Formula: C20H17ClN4O4S MolecularWeight: 444.89138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H17ClN4O4S/c1-13(26)23-15-7-9-16(10-8-15)24-19(27)18-17(21)11-22-20(25-18)30(28,29)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,26)(H,24,27)