3,4,5-trimethoxy-2-[(4-methylsulfonylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 3,4,5-trimethoxy-2-[(4-methylsulfonylphenyl)sulfonylamino]benzoic acid Openeye Name: 3,4,5-trimethoxy-2-[(4-methylsulfonylphenyl)sulfonylamino]benzoic acid CAS Name: 3,4,5-trimethoxy-2-[(4-methylsulfonylphenyl)sulfonylamino]benzoic acid IUPAC Name: 3,4,5-trimethoxy-2-[(4-methylsulfonylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[(4-mesylphenyl)sulfonylamino]-3,4,5-trimethoxy-benzoic acid Formula: C17H19NO9S2 MolecularWeight: 445.46406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C)OC)OC

InChI

InChI=1S/C17H19NO9S2/c1-25-13-9-12(17(19)20)14(16(27-3)15(13)26-2)18-29(23,24)11-7-5-10(6-8-11)28(4,21)22/h5-9,18H,1-4H3,(H,19,20)