4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide

Systemtic Name: 4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide Openeye Name: 4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide CAS Name: 4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(4-methylsulfonylphenyl)-1-piperidinecarboxamide IUPAC Name: 4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-(4-methylsulfonylphenyl)piperidine-1-carboxamide Traditional Name: N-(4-mesylphenyl)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxamide Formula: C21H26N6O3S MolecularWeight: 442.53454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H26N6O3S/c1-14-9-11-27(21(28)25-15-4-6-16(7-5-15)31(3,29)30)12-18(14)26(2)20-17-8-10-22-19(17)23-13-24-20/h4-8,10,13-14,18H,9,11-12H2,1-3H3,(H,25,28)(H,22,23,24)