CHEBI:101658 - 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide

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ChEBI Name 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide ChEBI ID CHEBI:101658 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H29ClN2O7S Net Charge 0 Average Mass 573.059 Monoisotopic Mass 572.13840 InChI InChI=1S/C28H29ClN2O7S/c1-36-20-3-2-4-22(12-20)39(34,35)31-19-9-10-25-23(11-19)24-13-21(37-26(16-32)28(24)38-25)14-27(33)30-15-17-5-7-18(29)8-6-17/h2-12,21,24,26,28,31-32H,13-16H2,1H3,(H,30,33)/t21-,24+,26+,28-/m0/s1 InChIKey XHFXJTPXFPIUNX-IXMDGTTKSA-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)NCC5=CC=C(C=C5)Cl ChEBI Ontology Outgoing 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide (CHEBI:101658) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-13021 LINCS View more database links