3-[4-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[2-(4,5-dimethoxy-2-nitrophenyl)ethylsulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(4,5-dimethoxy-2-nitrophenyl)ethylsulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylsulfamoyl]phenyl]propionic acid Formula: C19H22N2O8S MolecularWeight: 438.45158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O8S/c1-28-17-11-14(16(21(24)25)12-18(17)29-2)9-10-20-30(26,27)15-6-3-13(4-7-15)5-8-19(22)23/h3-4,6-7,11-12,20H,5,8-10H2,1-2H3,(H,22,23)