N-[(5S,5aS,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-8-oxidanylidene-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]-4-azanyl-benzenesulfonamide

Systemtic Name: N-[(5S,5aS,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-8-oxidanylidene-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]-4-azanyl-benzenesulfonamide Openeye Name: N-[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-5-yl]-4-amino-benzenesulfonamide CAS Name: N-[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-5-yl]-4-aminobenzenesulfonamide IUPAC Name: N-[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]-4-aminobenzenesulfonamide Traditional Name: N-[(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-8-keto-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-5-yl]-4-amino-benzenesulfonamide Formula: C27H26N2O9S MolecularWeight: 554.56834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NS(=O)(=O)C6=CC=C(C=C6)N

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NS(=O)(=O)C6=CC=C(C=C6)N

InChI

InChI=1S/C27H26N2O9S/c1-34-21-7-13(8-22(35-2)26(21)30)23-16-9-19-20(38-12-37-19)10-17(16)25(18-11-36-27(31)24(18)23)29-39(32,33)15-5-3-14(28)4-6-15/h3-10,18,23-25,29-30H,11-12,28H2,1-2H3/t18-,23+,24-,25+/m0/s1