N-[4-[[6-(1-benzofuran-2-yl)pyrimidin-4-yl]amino]phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-[[6-(1-benzofuran-2-yl)pyrimidin-4-yl]amino]phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-[[6-(benzofuran-2-yl)pyrimidin-4-yl]amino]phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[[6-(2-benzofuranyl)-4-pyrimidinyl]amino]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-[[6-(1-benzofuran-2-yl)pyrimidin-4-yl]amino]phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-[[6-(benzofuran-2-yl)pyrimidin-4-yl]amino]phenyl]-4-methyl-benzenesulfonamide Formula: C25H20N4O3S MolecularWeight: 456.5163

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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=CC=CC=C5O4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C25H20N4O3S/c1-17-6-12-21(13-7-17)33(30,31)29-20-10-8-19(9-11-20)28-25-15-22(26-16-27-25)24-14-18-4-2-3-5-23(18)32-24/h2-16,29H,1H3,(H,26,27,28)