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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

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