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

Systemtic Name: [5-methanoyl-6-(phenylmethoxycarbonylamino)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [6-(benzyloxycarbonylamino)-5-formyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-formyl-6-(phenylmethoxycarbonylamino)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester IUPAC Name: [5-formyl-6-(phenylmethoxycarbonylamino)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-(benzyloxycarbonylamino)-5-formyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester Formula: C25H23NO8S MolecularWeight: 497.51702

Click to see the large picture

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)C=O

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO8S/c1-17-7-9-20(10-8-17)35(29,30)33-16-19-15-31-23-12-11-22(21(13-27)24(23)34-19)26-25(28)32-14-18-5-3-2-4-6-18/h2-13,19H,14-16H2,1H3,(H,26,28)