N-[6-(2-hydroxyethyloxy)-5-(4-methylphenyl)pyrimidin-4-yl]-4-propyl-benzenesulfonamide

Systemtic Name: N-[6-(2-hydroxyethyloxy)-5-(4-methylphenyl)pyrimidin-4-yl]-4-propyl-benzenesulfonamide Openeye Name: N-[6-(2-hydroxyethoxy)-5-(p-tolyl)pyrimidin-4-yl]-4-propyl-benzenesulfonamide CAS Name: N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)-4-pyrimidinyl]-4-propylbenzenesulfonamide IUPAC Name: N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]-4-propylbenzenesulfonamide Traditional Name: N-[6-(2-hydroxyethoxy)-5-(p-tolyl)pyrimidin-4-yl]-4-propyl-benzenesulfonamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OCCO)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OCCO)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H25N3O4S/c1-3-4-17-7-11-19(12-8-17)30(27,28)25-21-20(18-9-5-16(2)6-10-18)22(24-15-23-21)29-14-13-26/h5-12,15,26H,3-4,13-14H2,1-2H3,(H,23,24,25)