4-[[carboxycarbonyl-[[5-(dodecylsulfamoyl)thiophen-2-yl]methyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[carboxycarbonyl-[[5-(dodecylsulfamoyl)thiophen-2-yl]methyl]amino]methyl]benzoic acid Openeye Name: 4-[[[5-(dodecylsulfamoyl)-2-thienyl]methyl-oxalo-amino]methyl]benzoic acid CAS Name: 4-[[[5-(dodecylsulfamoyl)-2-thiophenyl]methyl-oxaloamino]methyl]benzoic acid IUPAC Name: 4-[[[5-(dodecylsulfamoyl)thiophen-2-yl]methyl-oxaloamino]methyl]benzoic acid Traditional Name: 4-[[[5-(laurylsulfamoyl)-2-thienyl]methyl-oxalo-amino]methyl]benzoic acid Formula: C27H38N2O7S2 MolecularWeight: 566.72982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNS(=O)(=O)C1=CC=C(S1)CN(CC2=CC=C(C=C2)C(=O)O)C(=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCNS(=O)(=O)C1=CC=C(S1)CN(CC2=CC=C(C=C2)C(=O)O)C(=O)C(=O)O

InChI

InChI=1S/C27H38N2O7S2/c1-2-3-4-5-6-7-8-9-10-11-18-28-38(35,36)24-17-16-23(37-24)20-29(25(30)27(33)34)19-21-12-14-22(15-13-21)26(31)32/h12-17,28H,2-11,18-20H2,1H3,(H,31,32)(H,33,34)