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

Systemtic Name: 4-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 4-[[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[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=C(C=C4)C#N

Isomeric SMILES

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

InChI

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