[2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]methanesulfonic acid

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]methanesulfonic acid Openeye Name: [2-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]methanesulfonic acid CAS Name: [2-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]methanesulfonic acid IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]methanesulfonic acid Traditional Name: [2-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]methanesulfonic acid Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C(=O)C2COC3=CC=CC=C3O2)CS(=O)(=O)O

Isomeric SMILES

C1CN(C(CN1)C(=O)C2COC3=CC=CC=C3O2)CS(=O)(=O)O

InChI

InChI=1S/C14H18N2O6S/c17-14(10-7-15-5-6-16(10)9-23(18,19)20)13-8-21-11-3-1-2-4-12(11)22-13/h1-4,10,13,15H,5-9H2,(H,18,19,20)