[(2S,3S,4aS,5R,7R,8R,8aR)-8-acetamido-7-azido-2,3-dimethoxy-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-5-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S,4aS,5R,7R,8R,8aR)-8-acetamido-7-azido-2,3-dimethoxy-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-5-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S,3S,4aS,5R,7R,8R,8aR)-8-acetamido-7-azido-2,3-dimethoxy-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-5-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S,4aS,5R,7R,8R,8aR)-8-acetamido-7-azido-2,3-dimethoxy-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-5-yl]methyl ester IUPAC Name: [(2S,3S,4aS,5R,7R,8R,8aR)-8-acetamido-7-azido-2,3-dimethoxy-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-5-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S,4aS,5R,7R,8R,8aR)-8-acetamido-7-azido-2,3-dimethoxy-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-5-yl]methyl ester Formula: C21H30N4O9S MolecularWeight: 514.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C(C(C(O2)N=[N+]=[N-])NC(=O)C)OC(C(O3)(C)OC)(C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)N=[N+]=[N-])NC(=O)C)O[C@]([C@@](O3)(C)OC)(C)OC

InChI

InChI=1S/C21H30N4O9S/c1-12-7-9-14(10-8-12)35(27,28)31-11-15-17-18(16(23-13(2)26)19(32-15)24-25-22)34-21(4,30-6)20(3,29-5)33-17/h7-10,15-19H,11H2,1-6H3,(H,23,26)/t15-,16-,17-,18-,19-,20+,21+/m1/s1