diethyl 3,6-bis[2-oxidanyl-5-(phenylsulfonylamino)phenoxy]cyclohexa-1,4-diene-1,4-dicarboxylate

Systemtic Name: diethyl 3,6-bis[2-oxidanyl-5-(phenylsulfonylamino)phenoxy]cyclohexa-1,4-diene-1,4-dicarboxylate Openeye Name: diethyl 3,6-bis[5-(benzenesulfonamido)-2-hydroxy-phenoxy]cyclohexa-1,4-diene-1,4-dicarboxylate CAS Name: 3,6-bis[5-(benzenesulfonamido)-2-hydroxyphenoxy]cyclohexa-1,4-diene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3,6-bis[5-(benzenesulfonamido)-2-hydroxyphenoxy]cyclohexa-1,4-diene-1,4-dicarboxylate Traditional Name: 3,6-bis[5-(benzenesulfonamido)-2-hydroxy-phenoxy]cyclohexa-1,4-diene-1,4-dicarboxylic acid diethyl ester Formula: C36H34N2O12S2 MolecularWeight: 750.79136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(C(=CC1OC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O)C(=O)OCC)OC4=C(C=CC(=C4)NS(=O)(=O)C5=CC=CC=C5)O

Isomeric SMILES

CCOC(=O)C1=CC(C(=CC1OC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O)C(=O)OCC)OC4=C(C=CC(=C4)NS(=O)(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C36H34N2O12S2/c1-3-47-35(41)27-21-32(50-34-20-24(16-18-30(34)40)38-52(45,46)26-13-9-6-10-14-26)28(36(42)48-4-2)22-31(27)49-33-19-23(15-17-29(33)39)37-51(43,44)25-11-7-5-8-12-25/h5-22,31-32,37-40H,3-4H2,1-2H3