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

Systemtic Name: [5-acetamido-6-methoxy-3,4-bis(oxidanyl)oxan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: (5-acetamido-3,4-dihydroxy-6-methoxy-tetrahydropyran-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-acetamido-3,4-dihydroxy-6-methoxy-2-oxanyl)methyl ester IUPAC Name: (5-acetamido-3,4-dihydroxy-6-methoxyoxan-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-acetamido-3,4-dihydroxy-6-methoxy-tetrahydropyran-2-yl)methyl ester Formula: C16H23NO8S MolecularWeight: 389.42072

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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)C)O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO8S/c1-9-4-6-11(7-5-9)26(21,22)24-8-12-14(19)15(20)13(17-10(2)18)16(23-3)25-12/h4-7,12-16,19-20H,8H2,1-3H3,(H,17,18)