2-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 2-[[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidino]sulfonylbenzonitrile Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H22N6O2S/c1-14-8-10-26(29(27,28)18-6-4-3-5-15(18)11-21)12-17(14)25(2)20-16-7-9-22-19(16)23-13-24-20/h3-7,9,13-14,17H,8,10,12H2,1-2H3,(H,22,23,24)