5-methoxy-4-(2-methoxyethoxy)-2-[(4-methylsulfonylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 5-methoxy-4-(2-methoxyethoxy)-2-[(4-methylsulfonylphenyl)sulfonylamino]benzoic acid Openeye Name: 5-methoxy-4-(2-methoxyethoxy)-2-[(4-methylsulfonylphenyl)sulfonylamino]benzoic acid CAS Name: 5-methoxy-4-(2-methoxyethoxy)-2-[(4-methylsulfonylphenyl)sulfonylamino]benzoic acid IUPAC Name: 5-methoxy-4-(2-methoxyethoxy)-2-[(4-methylsulfonylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[(4-mesylphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Formula: C18H21NO9S2 MolecularWeight: 459.49064

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C(=C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)O)OC

Isomeric SMILES

COCCOC1=C(C=C(C(=C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)O)OC

InChI

InChI=1S/C18H21NO9S2/c1-26-8-9-28-17-11-15(14(18(20)21)10-16(17)27-2)19-30(24,25)13-6-4-12(5-7-13)29(3,22)23/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21)