1-[[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: 1-[[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methylsulfonyl]piperidine-4-carboxamide Openeye Name: 1-[[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methylsulfonyl]piperidine-4-carboxamide CAS Name: 1-[[3-[[6-(2-methoxyphenyl)-4-pyrimidinyl]amino]phenyl]methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: 1-[[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methylsulfonyl]piperidine-4-carboxamide Traditional Name: 1-[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]benzyl]sulfonylisonipecotamide Formula: C24H27N5O4S MolecularWeight: 481.56728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NC=N2)NC3=CC=CC(=C3)CS(=O)(=O)N4CCC(CC4)C(=O)N

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NC=N2)NC3=CC=CC(=C3)CS(=O)(=O)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C24H27N5O4S/c1-33-22-8-3-2-7-20(22)21-14-23(27-16-26-21)28-19-6-4-5-17(13-19)15-34(31,32)29-11-9-18(10-12-29)24(25)30/h2-8,13-14,16,18H,9-12,15H2,1H3,(H2,25,30)(H,26,27,28)