3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-1-propanesulfonic acid IUPAC Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]propane-1-sulfonic acid Formula: C15H22N2O7S2 MolecularWeight: 406.47438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCS(=O)(=O)O)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CN(CCN1CCCS(=O)(=O)O)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C15H22N2O7S2/c18-25(19,20)11-1-4-16-5-7-17(8-6-16)26(21,22)13-2-3-14-15(12-13)24-10-9-23-14/h2-3,12H,1,4-11H2,(H,18,19,20)