5-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-hydroxy-benzoic acid CAS Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-2-hydroxybenzoic acid IUPAC Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-hydroxybenzoic acid Traditional Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-2-hydroxy-benzoic acid Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)O)C(=O)O)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)O)C(=O)O)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H20N2O7S/c22-16-3-1-13(11-15(16)19(23)24)20-5-7-21(8-6-20)29(25,26)14-2-4-17-18(12-14)28-10-9-27-17/h1-4,11-12,22H,5-10H2,(H,23,24)