3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-N-methylsulfonyl-N'-(phenylmethyl)propanimidamide

Systemtic Name: 3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-N-methylsulfonyl-N'-(phenylmethyl)propanimidamide Openeye Name: N'-benzyl-N-methylsulfonyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-propanamidine CAS Name: N-methylsulfonyl-N'-(phenylmethyl)-3-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]propanimidamide IUPAC Name: N'-benzyl-N-methylsulfonyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanimidamide Traditional Name: N'-benzyl-N-mesyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-propionamidine Formula: C17H26N2O8S MolecularWeight: 418.46194

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(=NCC1=CC=CC=C1)CCOC2C(C(C(C(O2)CO)O)O)O

Isomeric SMILES

CS(=O)(=O)NC(=NCC1=CC=CC=C1)CCO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O

InChI

InChI=1S/C17H26N2O8S/c1-28(24,25)19-13(18-9-11-5-3-2-4-6-11)7-8-26-17-16(23)15(22)14(21)12(10-20)27-17/h2-6,12,14-17,20-23H,7-10H2,1H3,(H,18,19)/t12-,14+,15+,16-,17-/m1/s1