N-[6-(2-hydroxyethyloxy)-5-phenethyl-pyrimidin-4-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[6-(2-hydroxyethyloxy)-5-phenethyl-pyrimidin-4-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[6-(2-hydroxyethoxy)-5-phenethyl-pyrimidin-4-yl]-4-methyl-benzenesulfonamide CAS Name: N-[6-(2-hydroxyethoxy)-5-phenethyl-4-pyrimidinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[6-(2-hydroxyethoxy)-5-phenethylpyrimidin-4-yl]-4-methylbenzenesulfonamide Traditional Name: N-[6-(2-hydroxyethoxy)-5-phenethyl-pyrimidin-4-yl]-4-methyl-benzenesulfonamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OCCO)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OCCO)CCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4S/c1-16-7-10-18(11-8-16)29(26,27)24-20-19(12-9-17-5-3-2-4-6-17)21(23-15-22-20)28-14-13-25/h2-8,10-11,15,25H,9,12-14H2,1H3,(H,22,23,24)