[6-methoxy-3,4-bis(oxidanyl)-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [6-methoxy-3,4-bis(oxidanyl)-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [5-(benzyloxycarbonylamino)-3,4-dihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3,4-dihydroxy-6-methoxy-5-(phenylmethoxycarbonylamino)-2-oxanyl]methyl ester IUPAC Name: [3,4-dihydroxy-6-methoxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-(benzyloxycarbonylamino)-3,4-dihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl ester Formula: C22H27NO9S MolecularWeight: 481.51608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(C(O2)OC)NC(=O)OCC3=CC=CC=C3)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(C(O2)OC)NC(=O)OCC3=CC=CC=C3)O)O

InChI

InChI=1S/C22H27NO9S/c1-14-8-10-16(11-9-14)33(27,28)31-13-17-19(24)20(25)18(21(29-2)32-17)23-22(26)30-12-15-6-4-3-5-7-15/h3-11,17-21,24-25H,12-13H2,1-2H3,(H,23,26)