N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pentyl-benzenesulfonamide

Systemtic Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pentyl-benzenesulfonamide Openeye Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pentyl-benzenesulfonamide CAS Name: N-[3-(2-methyl-4-pyrimidinyl)phenyl]-4-pentylbenzenesulfonamide IUPAC Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-pentylbenzenesulfonamide Traditional Name: 4-amyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzenesulfonamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NC(=NC=C3)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NC(=NC=C3)C

InChI

InChI=1S/C22H25N3O2S/c1-3-4-5-7-18-10-12-21(13-11-18)28(26,27)25-20-9-6-8-19(16-20)22-14-15-23-17(2)24-22/h6,8-16,25H,3-5,7H2,1-2H3