(E)-N-[5-(4-methylphenyl)-6-(4-oxidanylbutoxy)pyrimidin-4-yl]-2-phenyl-ethenesulfonamide

Systemtic Name: (E)-N-[5-(4-methylphenyl)-6-(4-oxidanylbutoxy)pyrimidin-4-yl]-2-phenyl-ethenesulfonamide Openeye Name: (E)-N-[6-(4-hydroxybutoxy)-5-(p-tolyl)pyrimidin-4-yl]-2-phenyl-ethenesulfonamide CAS Name: (E)-N-[6-(4-hydroxybutoxy)-5-(4-methylphenyl)-4-pyrimidinyl]-2-phenylethenesulfonamide IUPAC Name: (E)-N-[6-(4-hydroxybutoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-2-phenylethenesulfonamide Traditional Name: (E)-N-[6-(4-hydroxybutoxy)-5-(p-tolyl)pyrimidin-4-yl]-2-phenyl-ethenesulfonamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=CN=C2OCCCCO)NS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=CN=C2OCCCCO)NS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4S/c1-18-9-11-20(12-10-18)21-22(24-17-25-23(21)30-15-6-5-14-27)26-31(28,29)16-13-19-7-3-2-4-8-19/h2-4,7-13,16-17,27H,5-6,14-15H2,1H3,(H,24,25,26)/b16-13+