5-methoxy-4-(2-methoxyethoxy)-2-[(3-methylsulfonylphenyl)sulfonylamino]benzoate

Systemtic Name: 5-methoxy-4-(2-methoxyethoxy)-2-[(3-methylsulfonylphenyl)sulfonylamino]benzoate Openeye Name: 5-methoxy-4-(2-methoxyethoxy)-2-[(3-methylsulfonylphenyl)sulfonylamino]benzoate CAS Name: 5-methoxy-4-(2-methoxyethoxy)-2-[(3-methylsulfonylphenyl)sulfonylamino]benzoate IUPAC Name: 5-methoxy-4-(2-methoxyethoxy)-2-[(3-methylsulfonylphenyl)sulfonylamino]benzoate Traditional Name: 2-[(3-mesylphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoate Formula: C18H20NO9S2- MolecularWeight: 458.4827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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