(2S,4S,5R,6R)-5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-2,4-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: (2S,4S,5R,6R)-5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-2,4-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: (2S,4S,5R,6R)-5-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid CAS Name: (2S,4S,5R,6R)-5-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid IUPAC Name: (2S,4S,5R,6R)-5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid Traditional Name: (2S,4S,5R,6R)-2,4-dihydroxy-5-(naphthionylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid Formula: C21H28N2O10S MolecularWeight: 500.51942

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC3C(CC(OC3C(C(CO)O)O)(C(=O)O)O)O

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N[C@@H]3[C@H](C[C@](O[C@H]3[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O

InChI

InChI=1S/C21H28N2O10S/c1-23(2)13-7-3-6-12-11(13)5-4-8-16(12)34(31,32)22-17-14(25)9-21(30,20(28)29)33-19(17)18(27)15(26)10-24/h3-8,14-15,17-19,22,24-27,30H,9-10H2,1-2H3,(H,28,29)/t14-,15+,17+,18+,19+,21-/m0/s1