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CHEBI:110372 - 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

ChEBI IDCHEBI:110372
ChEBI Name2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
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DownloadsMolfile
FormulaC21H23NO8S
Net Charge0
Average Mass449.481
Monoisotopic Mass449.11444
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)[C@H]2C[C@H](CC(=O)O)O[C@H](CO)[C@H]2O3)cc1
InChIInChI=1S/C21H23NO8S/c1-28-13-3-5-15(6-4-13)31(26,27)22-12-2-7-18-16(8-12)17-9-14(10-20(24)25)29-19(11-23)21(17)30-18/h2-8,14,17,19,21-23H,9-11H2,1H3,(H,24,25)/t14-,17-,19-,21+/m1/s1
InChIKeyIEHAYHWJNYCLRG-QTRJSKNGSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid (CHEBI:110372) is a sulfonamide (CHEBI:35358)
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