2-[4-[(4-methoxy-2-nitro-phenyl)sulfamoyl]-3,5-dimethyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(4-methoxy-2-nitro-phenyl)sulfamoyl]-3,5-dimethyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[(4-methoxy-2-nitro-phenyl)sulfamoyl]-3,5-dimethyl-phenoxy]acetic acid CAS Name: 2-[4-[(4-methoxy-2-nitrophenyl)sulfamoyl]-3,5-dimethylphenoxy]acetic acid IUPAC Name: 2-[4-[(4-methoxy-2-nitrophenyl)sulfamoyl]-3,5-dimethylphenoxy]acetic acid Traditional Name: 2-[4-[(4-methoxy-2-nitro-phenyl)sulfamoyl]-3,5-dimethyl-phenoxy]acetic acid Formula: C17H18N2O8S MolecularWeight: 410.39842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C)OCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C)OCC(=O)O

InChI

InChI=1S/C17H18N2O8S/c1-10-6-13(27-9-16(20)21)7-11(2)17(10)28(24,25)18-14-5-4-12(26-3)8-15(14)19(22)23/h4-8,18H,9H2,1-3H3,(H,20,21)