N-[5-(2,4-dimethylphenyl)-6-(2-hydroxyethyloxy)pyrimidin-4-yl]-2-phenyl-ethanesulfonamide

Systemtic Name: N-[5-(2,4-dimethylphenyl)-6-(2-hydroxyethyloxy)pyrimidin-4-yl]-2-phenyl-ethanesulfonamide Openeye Name: N-[5-(2,4-dimethylphenyl)-6-(2-hydroxyethoxy)pyrimidin-4-yl]-2-phenyl-ethanesulfonamide CAS Name: N-[5-(2,4-dimethylphenyl)-6-(2-hydroxyethoxy)-4-pyrimidinyl]-2-phenylethanesulfonamide IUPAC Name: N-[5-(2,4-dimethylphenyl)-6-(2-hydroxyethoxy)pyrimidin-4-yl]-2-phenylethanesulfonamide Traditional Name: N-[5-(2,4-dimethylphenyl)-6-(2-hydroxyethoxy)pyrimidin-4-yl]-2-phenyl-ethanesulfonamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(N=CN=C2OCCO)NS(=O)(=O)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(N=CN=C2OCCO)NS(=O)(=O)CCC3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3O4S/c1-16-8-9-19(17(2)14-16)20-21(23-15-24-22(20)29-12-11-26)25-30(27,28)13-10-18-6-4-3-5-7-18/h3-9,14-15,26H,10-13H2,1-2H3,(H,23,24,25)