2-[[5-(dodecylsulfamoyl)thiophen-2-yl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[5-(dodecylsulfamoyl)thiophen-2-yl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[5-(dodecylsulfamoyl)-2-thienyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxo-acetic acid CAS Name: 2-[[5-(dodecylsulfamoyl)-2-thiophenyl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoacetic acid IUPAC Name: 2-[[5-(dodecylsulfamoyl)thiophen-2-yl]methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoacetic acid Traditional Name: 2-keto-2-[[5-(laurylsulfamoyl)-2-thienyl]methyl-[4-(trifluoromethyl)benzyl]amino]acetic acid Formula: C27H37F3N2O5S2 MolecularWeight: 590.71829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37F3N2O5S2/c1-2-3-4-5-6-7-8-9-10-11-18-31-39(36,37)24-17-16-23(38-24)20-32(25(33)26(34)35)19-21-12-14-22(15-13-21)27(28,29)30/h12-17,31H,2-11,18-20H2,1H3,(H,34,35)