4-butyl-2-(2-hydroxyethyloxy)-3-(4-methylphenyl)-N-pyrimidin-4-yl-benzenesulfonamide

Systemtic Name: 4-butyl-2-(2-hydroxyethyloxy)-3-(4-methylphenyl)-N-pyrimidin-4-yl-benzenesulfonamide Openeye Name: 4-butyl-2-(2-hydroxyethoxy)-3-(p-tolyl)-N-pyrimidin-4-yl-benzenesulfonamide CAS Name: 4-butyl-2-(2-hydroxyethoxy)-3-(4-methylphenyl)-N-(4-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-butyl-2-(2-hydroxyethoxy)-3-(4-methylphenyl)-N-pyrimidin-4-ylbenzenesulfonamide Traditional Name: 4-butyl-2-(2-hydroxyethoxy)-3-(p-tolyl)-N-(4-pyrimidyl)benzenesulfonamide Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)S(=O)(=O)NC2=NC=NC=C2)OCCO)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)S(=O)(=O)NC2=NC=NC=C2)OCCO)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H27N3O4S/c1-3-4-5-18-10-11-20(31(28,29)26-21-12-13-24-16-25-21)23(30-15-14-27)22(18)19-8-6-17(2)7-9-19/h6-13,16,27H,3-5,14-15H2,1-2H3,(H,24,25,26)