4-[2-[[2-[(dimethylsulfamoylamino)methyl]-2-piperidin-1-yl-cyclohexyl]amino]pyrimidin-4-yl]azepane

Systemtic Name: 4-[2-[[2-[(dimethylsulfamoylamino)methyl]-2-piperidin-1-yl-cyclohexyl]amino]pyrimidin-4-yl]azepane Openeye Name: 4-[2-[[2-[(dimethylsulfamoylamino)methyl]-2-(1-piperidyl)cyclohexyl]amino]pyrimidin-4-yl]azepane CAS Name: 4-[2-[[2-[(dimethylsulfamoylamino)methyl]-2-(1-piperidinyl)cyclohexyl]amino]-4-pyrimidinyl]azepane IUPAC Name: 4-[2-[[2-[(dimethylsulfamoylamino)methyl]-2-piperidin-1-ylcyclohexyl]amino]pyrimidin-4-yl]azepane Traditional Name: 4-[2-[[2-[(dimethylsulfamoylamino)methyl]-2-piperidino-cyclohexyl]amino]pyrimidin-4-yl]azepane Formula: C24H43N7O2S MolecularWeight: 493.70892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)NCC1(CCCCC1NC2=NC=CC(=N2)C3CCCNCC3)N4CCCCC4

Isomeric SMILES

CN(C)S(=O)(=O)NCC1(CCCCC1NC2=NC=CC(=N2)C3CCCNCC3)N4CCCCC4

InChI

InChI=1S/C24H43N7O2S/c1-30(2)34(32,33)27-19-24(31-17-6-3-7-18-31)13-5-4-10-22(24)29-23-26-16-12-21(28-23)20-9-8-14-25-15-11-20/h12,16,20,22,25,27H,3-11,13-15,17-19H2,1-2H3,(H,26,28,29)