4-butyl-N-[6-chloranyl-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide

Systemtic Name: 4-butyl-N-[6-chloranyl-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide Openeye Name: 4-butyl-N-[6-chloro-5-(p-tolyl)pyrimidin-4-yl]benzenesulfonamide CAS Name: 4-butyl-N-[6-chloro-5-(4-methylphenyl)-4-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-butyl-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide Traditional Name: 4-butyl-N-[6-chloro-5-(p-tolyl)pyrimidin-4-yl]benzenesulfonamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)Cl)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)Cl)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H22ClN3O2S/c1-3-4-5-16-8-12-18(13-9-16)28(26,27)25-21-19(20(22)23-14-24-21)17-10-6-15(2)7-11-17/h6-14H,3-5H2,1-2H3,(H,23,24,25)