CHEBI:117349 - 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

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ChEBI Name 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
ChEBI ID CHEBI:117349
Stars This entity has been manually annotated by a third party.
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Formula C23H25F3N2O7S
Net Charge 0
Average Mass 530.516
Monoisotopic Mass 530.13346
InChI InChI=1S/C23H25F3N2O7S/c1-33-14-3-2-4-16(8-14)36(31,32)28-13-5-6-19-17(7-13)18-9-15(34-20(11-29)22(18)35-19)10-21(30)27-12-23(24,25)26/h2-8,15,18,20,22,28-29H,9-12H2,1H3,(H,27,30)/t15-,18-,20-,22+/m0/s1
InChIKey MZKZWNSKYYIKNG-DKWQAAHISA-N
SMILES COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@H]4CO)CC(=O)NCC(F)(F)F
ChEBI Ontology
Outgoing 2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (CHEBI:117349) is a sulfonamide (CHEBI:35358)
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