4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2,6-dimethoxy-pyrimidine

Systemtic Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2,6-dimethoxy-pyrimidine Openeye Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2,6-dimethoxy-pyrimidine CAS Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-2,6-dimethoxypyrimidine IUPAC Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2,6-dimethoxypyrimidine Traditional Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-2,6-dimethoxy-pyrimidine Formula: C18H22N4O6S MolecularWeight: 422.45548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)OC

Isomeric SMILES

COC1=NC(=NC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)OC

InChI

InChI=1S/C18H22N4O6S/c1-25-17-12-16(19-18(20-17)26-2)21-5-7-22(8-6-21)29(23,24)13-3-4-14-15(11-13)28-10-9-27-14/h3-4,11-12H,5-10H2,1-2H3