(4,5-dibenzamido-6-methoxy-3-oxidanyl-oxan-2-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (4,5-dibenzamido-6-methoxy-3-oxidanyl-oxan-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (4,5-dibenzamido-3-hydroxy-6-methoxy-tetrahydropyran-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4,5-dibenzamido-3-hydroxy-6-methoxy-2-oxanyl)methyl ester IUPAC Name: (4,5-dibenzamido-3-hydroxy-6-methoxyoxan-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4,5-dibenzamido-3-hydroxy-6-methoxy-tetrahydropyran-2-yl)methyl ester Formula: C28H30N2O8S MolecularWeight: 554.6114

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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)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(C(O2)OC)NC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C28H30N2O8S/c1-18-13-15-21(16-14-18)39(34,35)37-17-22-25(31)23(29-26(32)19-9-5-3-6-10-19)24(28(36-2)38-22)30-27(33)20-11-7-4-8-12-20/h3-16,22-25,28,31H,17H2,1-2H3,(H,29,32)(H,30,33)