5-methoxy-4-(2-methoxyethoxy)-2-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoic acid

Systemtic Name: 5-methoxy-4-(2-methoxyethoxy)-2-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoic acid Openeye Name: 5-methoxy-4-(2-methoxyethoxy)-2-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoic acid CAS Name: 5-methoxy-4-(2-methoxyethoxy)-2-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoic acid IUPAC Name: 5-methoxy-4-(2-methoxyethoxy)-2-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoic acid Traditional Name: 5-methoxy-4-(2-methoxyethoxy)-2-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoic acid Formula: C18H20N2O9S MolecularWeight: 440.4244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2C(=O)O)OC)OCCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2C(=O)O)OC)OCCOC)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O9S/c1-11-4-5-12(8-15(11)20(23)24)30(25,26)19-14-10-17(29-7-6-27-2)16(28-3)9-13(14)18(21)22/h4-5,8-10,19H,6-7H2,1-3H3,(H,21,22)