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

Systemtic Name: 4-[5-bromanyl-2-[[1-(3-methylsulfonylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]oxy-3-chloranyl-5-methyl-benzenecarbonitrile Openeye Name: 4-[5-bromo-2-[[1-(3-methylsulfonylphenyl)-4-piperidyl]amino]pyrimidin-4-yl]oxy-3-chloro-5-methyl-benzonitrile CAS Name: 4-[[5-bromo-2-[[1-(3-methylsulfonylphenyl)-4-piperidinyl]amino]-4-pyrimidinyl]oxy]-3-chloro-5-methylbenzonitrile IUPAC Name: 4-[5-bromo-2-[[1-(3-methylsulfonylphenyl)piperidin-4-yl]amino]pyrimidin-4-yl]oxy-3-chloro-5-methylbenzonitrile Traditional Name: 4-[5-bromo-2-[[1-(3-mesylphenyl)-4-piperidyl]amino]pyrimidin-4-yl]oxy-3-chloro-5-methyl-benzonitrile Formula: C24H23BrClN5O3S MolecularWeight: 576.89312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C#N)Cl)OC2=NC(=NC=C2Br)NC3CCN(CC3)C4=CC(=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C#N)Cl)OC2=NC(=NC=C2Br)NC3CCN(CC3)C4=CC(=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C24H23BrClN5O3S/c1-15-10-16(13-27)11-21(26)22(15)34-23-20(25)14-28-24(30-23)29-17-6-8-31(9-7-17)18-4-3-5-19(12-18)35(2,32)33/h3-5,10-12,14,17H,6-9H2,1-2H3,(H,28,29,30)