2-[5-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]thiophen-2-yl]ethanoic acid

Systemtic Name: 2-[5-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]thiophen-2-yl]ethanoic acid Openeye Name: 2-[5-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]-2-thienyl]acetic acid CAS Name: 2-[5-[2-(4,5-dimethoxy-2-nitrophenyl)ethylsulfamoyl]-2-thiophenyl]acetic acid IUPAC Name: 2-[5-[2-(4,5-dimethoxy-2-nitrophenyl)ethylsulfamoyl]thiophen-2-yl]acetic acid Traditional Name: 2-[5-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]-2-thienyl]acetic acid Formula: C16H18N2O8S2 MolecularWeight: 430.45272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNS(=O)(=O)C2=CC=C(S2)CC(=O)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNS(=O)(=O)C2=CC=C(S2)CC(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C16H18N2O8S2/c1-25-13-7-10(12(18(21)22)9-14(13)26-2)5-6-17-28(23,24)16-4-3-11(27-16)8-15(19)20/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,19,20)