piperidin-1-yl-[6-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanone

Systemtic Name: piperidin-1-yl-[6-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanone Openeye Name: 1-piperidyl-[6-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanone CAS Name: 1-piperidinyl-[6-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanone IUPAC Name: piperidin-1-yl-[6-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanone Traditional Name: piperidino-[6-[4-(2-pyrimidyl)piperazino]sulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanone Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2COC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCN(CC1)C(=O)C2COC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C22H27N5O5S/c28-21(25-9-2-1-3-10-25)20-16-31-19-15-17(5-6-18(19)32-20)33(29,30)27-13-11-26(12-14-27)22-23-7-4-8-24-22/h4-8,15,20H,1-3,9-14,16H2