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

Systemtic Name: 2-[[5-(dodecylsulfamoyl)thiophen-2-yl]methyl-[(4-nitrophenyl)methyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[5-(dodecylsulfamoyl)-2-thienyl]methyl-[(4-nitrophenyl)methyl]amino]-2-oxo-acetic acid CAS Name: 2-[[5-(dodecylsulfamoyl)-2-thiophenyl]methyl-[(4-nitrophenyl)methyl]amino]-2-oxoacetic acid IUPAC Name: 2-[[5-(dodecylsulfamoyl)thiophen-2-yl]methyl-[(4-nitrophenyl)methyl]amino]-2-oxoacetic acid Traditional Name: 2-keto-2-[[5-(laurylsulfamoyl)-2-thienyl]methyl-(4-nitrobenzyl)amino]acetic acid Formula: C26H37N3O7S2 MolecularWeight: 567.71788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNS(=O)(=O)C1=CC=C(S1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCNS(=O)(=O)C1=CC=C(S1)CN(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(=O)O

InChI

InChI=1S/C26H37N3O7S2/c1-2-3-4-5-6-7-8-9-10-11-18-27-38(35,36)24-17-16-23(37-24)20-28(25(30)26(31)32)19-21-12-14-22(15-13-21)29(33)34/h12-17,27H,2-11,18-20H2,1H3,(H,31,32)