N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]isoquinoline-5-sulfonamide Openeye Name: N-[3-[[4-(2-pyridyl)pyrimidin-2-yl]amino]phenyl]isoquinoline-5-sulfonamide CAS Name: N-[3-[[4-(2-pyridinyl)-2-pyrimidinyl]amino]phenyl]-5-isoquinolinesulfonamide IUPAC Name: N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]isoquinoline-5-sulfonamide Traditional Name: N-[3-[[4-(2-pyridyl)pyrimidin-2-yl]amino]phenyl]isoquinoline-5-sulfonamide Formula: C24H18N6O2S MolecularWeight: 454.50372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NC(=NC=C2)NC3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1=CC=NC(=C1)C2=NC(=NC=C2)NC3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C24H18N6O2S/c31-33(32,23-9-3-5-17-16-25-13-10-20(17)23)30-19-7-4-6-18(15-19)28-24-27-14-11-22(29-24)21-8-1-2-12-26-21/h1-16,30H,(H,27,28,29)