[5-azanyl-6-(hydroxymethyl)-2-methoxy-4-oxidanyl-oxan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-azanyl-6-(hydroxymethyl)-2-methoxy-4-oxidanyl-oxan-3-yl] 4-methylbenzenesulfonate Openeye Name: [5-amino-4-hydroxy-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-amino-4-hydroxy-6-(hydroxymethyl)-2-methoxy-3-oxanyl] ester IUPAC Name: [5-amino-4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-amino-4-hydroxy-2-methoxy-6-methylol-tetrahydropyran-3-yl) ester Formula: C14H21NO7S MolecularWeight: 347.38404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(C(OC2OC)CO)N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(C(OC2OC)CO)N)O

InChI

InChI=1S/C14H21NO7S/c1-8-3-5-9(6-4-8)23(18,19)22-13-12(17)11(15)10(7-16)21-14(13)20-2/h3-6,10-14,16-17H,7,15H2,1-2H3