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

Systemtic Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]propane-1,2-diol; ethanedioic acid Openeye Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]propane-1,2-diol; oxalic acid CAS Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]propane-1,2-diol; oxalic acid IUPAC Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]propane-1,2-diol; oxalic acid Traditional Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]propane-1,2-diol; oxalic acid Formula: C17H24N2O10S MolecularWeight: 448.44486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CO)O)S(=O)(=O)C2=CC3=C(C=C2)OCCO3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC(CO)O)S(=O)(=O)C2=CC3=C(C=C2)OCCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H22N2O6S.C2H2O4/c18-11-12(19)10-16-3-5-17(6-4-16)24(20,21)13-1-2-14-15(9-13)23-8-7-22-14;3-1(4)2(5)6/h1-2,9,12,18-19H,3-8,10-11H2;(H,3,4)(H,5,6)