pyridine; [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(E)-C-(2,3,4,5,6-pentadeuteriophenyl)-N-sulfooxy-carbonimidoyl]sulfanyl-oxan-2-yl]methyl ethanoate

Systemtic Name: pyridine; [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(E)-C-(2,3,4,5,6-pentadeuteriophenyl)-N-sulfooxy-carbonimidoyl]sulfanyl-oxan-2-yl]methyl ethanoate Openeye Name: pyridine; [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[(E)-C-(2,3,4,5,6-pentadeuteriophenyl)-N-sulfooxy-carbonimidoyl]sulfanyl-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(E)-(2,3,4,5,6-pentadeuteriophenyl)-sulfooxyiminomethyl]thio]-2-oxanyl]methyl ester; pyridine IUPAC Name: pyridine; [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(E)-C-(2,3,4,5,6-pentadeuteriophenyl)-N-sulfooxycarbonimidoyl]sulfanyloxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[[(E)-C-(2,3,4,5,6-pentadeuteriophenyl)-N-sulfoxy-carbonimidoyl]thio]tetrahydropyran-2-yl]methyl ester; pyridine Formula: C26H30N2O13S2 MolecularWeight: 647.682809

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SC(=NOS(=O)(=O)O)C2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C.C1=CC=NC=C1

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])/C(=N\OS(=O)(=O)O)/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[2H])[2H].C1=CC=NC=C1

InChI

InChI=1S/C21H25NO13S2.C5H5N/c1-11(23)30-10-16-17(31-12(2)24)18(32-13(3)25)19(33-14(4)26)21(34-16)36-20(22-35-37(27,28)29)15-8-6-5-7-9-15;1-2-4-6-5-3-1/h5-9,16-19,21H,10H2,1-4H3,(H,27,28,29);1-5H/b22-20+;/t16-,17-,18+,19-,21+;/m1./s1/i5D,6D,7D,8D,9D;