5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]sulfonyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 5-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]sulfonyl-2-hydroxy-benzoic acid CAS Name: 5-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]sulfonyl]-2-hydroxybenzoic acid IUPAC Name: 5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]sulfonyl-2-hydroxybenzoic acid Traditional Name: 5-[4-(coumaran-5-ylmethyl)piperazino]sulfonyl-2-hydroxy-benzoic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O

InChI

InChI=1S/C20H22N2O6S/c23-18-3-2-16(12-17(18)20(24)25)29(26,27)22-8-6-21(7-9-22)13-14-1-4-19-15(11-14)5-10-28-19/h1-4,11-12,23H,5-10,13H2,(H,24,25)