N-[6-oxidanylidene-6-(4-pyrimidin-2-ylpiperazin-1-yl)hexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[6-oxidanylidene-6-(4-pyrimidin-2-ylpiperazin-1-yl)hexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[6-oxo-6-(4-pyrimidin-2-ylpiperazin-1-yl)hexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[6-oxo-6-[4-(2-pyrimidinyl)-1-piperazinyl]hexyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[6-oxo-6-(4-pyrimidin-2-ylpiperazin-1-yl)hexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[6-keto-6-[4-(2-pyrimidyl)piperazino]hexyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCCCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCCCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H29N5O5S/c28-21(26-11-13-27(14-12-26)22-23-8-4-9-24-22)5-2-1-3-10-25-33(29,30)18-6-7-19-20(17-18)32-16-15-31-19/h4,6-9,17,25H,1-3,5,10-16H2