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DZG

Summary
Name:1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
Formula:C19 H22 N2 O7 S2
Formal charge:0
Formula weight:454.517 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
OpenEye OEToolkits1.5.01-(2,3-dihydro-1,4-benzodioxin-7-ylsulfonyl)-4-(4-methoxyphenyl)sulfonyl-piperazine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c1ccc(OC)cc1)N2CCN(CC2)S(=O)(=O)c3ccc4OCCOc4c3
SMILES_CANONICALCACTVS3.341COc1ccc(cc1)[S](=O)(=O)N2CCN(CC2)[S](=O)(=O)c3ccc4OCCOc4c3
SMILESCACTVS3.341COc1ccc(cc1)[S](=O)(=O)N2CCN(CC2)[S](=O)(=O)c3ccc4OCCOc4c3
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1ccc(cc1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4c(c3)OCCO4
SMILESOpenEye OEToolkits1.5.0COc1ccc(cc1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc4c(c3)OCCO4
InChIInChI1.03InChI=1S/C19H22N2O7S2/c1-26-15-2-4-16(5-3-15)29(22,23)20-8-10-21(11-9-20)30(24,25)17-6-7-18-19(14-17)28-13-12-27-18/h2-7,14H,8-13H2,1H3
InChIKeyInChI1.03HMGDKYUJSFVHIY-UHFFFAOYSA-N

248636

PDB entries from 2026-02-04

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