5-chloranyl-N-[2-(4-ethoxyphenyl)carbonyl-1-benzofuran-3-yl]-2-propylsulfonyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[2-(4-ethoxyphenyl)carbonyl-1-benzofuran-3-yl]-2-propylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[2-(4-ethoxybenzoyl)benzofuran-3-yl]-2-propylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-[(4-ethoxyphenyl)-oxomethyl]-3-benzofuranyl]-2-propylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-(4-ethoxybenzoyl)-1-benzofuran-3-yl]-2-propylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[2-(4-ethoxybenzoyl)benzofuran-3-yl]-2-propylsulfonyl-pyrimidine-4-carboxamide Formula: C25H22ClN3O6S MolecularWeight: 527.97668

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)OCC)Cl

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(OC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)OCC)Cl

InChI

InChI=1S/C25H22ClN3O6S/c1-3-13-36(32,33)25-27-14-18(26)21(29-25)24(31)28-20-17-7-5-6-8-19(17)35-23(20)22(30)15-9-11-16(12-10-15)34-4-2/h5-12,14H,3-4,13H2,1-2H3,(H,28,31)