N-[4-[[6-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]amino]phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-[[6-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]amino]phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-[[6-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]amino]phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[[6-(1,3-benzodioxol-5-yl)-4-pyrimidinyl]amino]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-[[6-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]amino]phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-[[6-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]amino]phenyl]-4-methyl-benzenesulfonamide Formula: C24H20N4O4S MolecularWeight: 460.505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H20N4O4S/c1-16-2-9-20(10-3-16)33(29,30)28-19-7-5-18(6-8-19)27-24-13-21(25-14-26-24)17-4-11-22-23(12-17)32-15-31-22/h2-14,28H,15H2,1H3,(H,25,26,27)