3-chloranyl-5-methyl-4-[2-[[1-(3-methylsulfonylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]oxy-benzenecarbonitrile

Systemtic Name: 3-chloranyl-5-methyl-4-[2-[[1-(3-methylsulfonylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]oxy-benzenecarbonitrile Openeye Name: 3-chloro-5-methyl-4-[2-[[1-(3-methylsulfonylphenyl)-4-piperidyl]amino]pyrimidin-4-yl]oxy-benzonitrile CAS Name: 3-chloro-5-methyl-4-[[2-[[1-(3-methylsulfonylphenyl)-4-piperidinyl]amino]-4-pyrimidinyl]oxy]benzonitrile IUPAC Name: 3-chloro-5-methyl-4-[2-[[1-(3-methylsulfonylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]oxybenzonitrile Traditional Name: 3-chloro-4-[2-[[1-(3-mesylphenyl)-4-piperidyl]amino]pyrimidin-4-yl]oxy-5-methyl-benzonitrile Formula: C24H24ClN5O3S MolecularWeight: 497.99706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C#N)Cl)OC2=NC(=NC=C2)NC3CCN(CC3)C4=CC(=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C#N)Cl)OC2=NC(=NC=C2)NC3CCN(CC3)C4=CC(=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C24H24ClN5O3S/c1-16-12-17(15-26)13-21(25)23(16)33-22-6-9-27-24(29-22)28-18-7-10-30(11-8-18)19-4-3-5-20(14-19)34(2,31)32/h3-6,9,12-14,18H,7-8,10-11H2,1-2H3,(H,27,28,29)