N-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]-2-methylsulfonyl-N-propan-2-yl-ethanamide

Systemtic Name: N-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]-2-methylsulfonyl-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-methylsulfonyl-N-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]acetamide CAS Name: 2-methylsulfonyl-N-propan-2-yl-N-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]acetamide IUPAC Name: 2-methylsulfonyl-N-propan-2-yl-N-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide Traditional Name: N-isopropyl-2-mesyl-N-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]acetamide Formula: C18H27NO9S MolecularWeight: 433.47328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)C(=O)CS(=O)(=O)C

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)CS(=O)(=O)C

InChI

InChI=1S/C18H27NO9S/c1-10(2)19(14(21)9-29(3,25)26)11-4-6-12(7-5-11)27-18-17(24)16(23)15(22)13(8-20)28-18/h4-7,10,13,15-18,20,22-24H,8-9H2,1-3H3/t13-,15-,16+,17-,18-/m1/s1