N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-methylsulfonyl-benzamide

Systemtic Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-methylsulfonyl-benzamide Openeye Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-methylsulfonyl-benzamide CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-methylsulfonylbenzamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-methylsulfonylbenzamide Traditional Name: 4-mesyl-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C24H21N5O3S MolecularWeight: 459.52024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C)NC3=NC=CC(=N3)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C)NC3=NC=CC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C24H21N5O3S/c1-16-5-8-19(27-23(30)17-6-9-20(10-7-17)33(2,31)32)14-22(16)29-24-26-13-11-21(28-24)18-4-3-12-25-15-18/h3-15H,1-2H3,(H,27,30)(H,26,28,29)