[5-oxidanyl-6-(phenylmethoxycarbonylamino)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [5-oxidanyl-6-(phenylmethoxycarbonylamino)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [6-(benzyloxycarbonylamino)-5-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-hydroxy-6-(phenylmethoxycarbonylamino)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester IUPAC Name: [5-hydroxy-6-(phenylmethoxycarbonylamino)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-(benzyloxycarbonylamino)-5-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester Formula: C24H23NO8S MolecularWeight: 485.50632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C(=C(C=C3)NC(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C(=C(C=C3)NC(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C24H23NO8S/c1-16-7-9-19(10-8-16)34(28,29)32-15-18-14-30-21-12-11-20(22(26)23(21)33-18)25-24(27)31-13-17-5-3-2-4-6-17/h2-12,18,26H,13-15H2,1H3,(H,25,27)