2,5-bis[[4-(3-methoxypropylsulfamoyl)phenyl]amino]cyclohexa-1,4-diene-1,4-dicarboxylic acid

Systemtic Name: 2,5-bis[[4-(3-methoxypropylsulfamoyl)phenyl]amino]cyclohexa-1,4-diene-1,4-dicarboxylic acid Openeye Name: 2,5-bis[4-(3-methoxypropylsulfamoyl)anilino]cyclohexa-1,4-diene-1,4-dicarboxylic acid CAS Name: 2,5-bis[4-(3-methoxypropylsulfamoyl)anilino]cyclohexa-1,4-diene-1,4-dicarboxylic acid IUPAC Name: 2,5-bis[4-(3-methoxypropylsulfamoyl)anilino]cyclohexa-1,4-diene-1,4-dicarboxylic acid Traditional Name: 2,5-bis[4-(3-methoxypropylsulfamoyl)anilino]cyclohexa-1,4-diene-1,4-dicarboxylic acid Formula: C28H36N4O10S2 MolecularWeight: 652.73624

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNS(=O)(=O)C1=CC=C(C=C1)NC2=C(CC(=C(C2)C(=O)O)NC3=CC=C(C=C3)S(=O)(=O)NCCCOC)C(=O)O

Isomeric SMILES

COCCCNS(=O)(=O)C1=CC=C(C=C1)NC2=C(CC(=C(C2)C(=O)O)NC3=CC=C(C=C3)S(=O)(=O)NCCCOC)C(=O)O

InChI

InChI=1S/C28H36N4O10S2/c1-41-15-3-13-29-43(37,38)21-9-5-19(6-10-21)31-25-17-24(28(35)36)26(18-23(25)27(33)34)32-20-7-11-22(12-8-20)44(39,40)30-14-4-16-42-2/h5-12,29-32H,3-4,13-18H2,1-2H3,(H,33,34)(H,35,36)