2-[[3,5-bis(methoxycarbonyl)phenyl]sulfonylamino]ethanesulfonic acid

Systemtic Name: 2-[[3,5-bis(methoxycarbonyl)phenyl]sulfonylamino]ethanesulfonic acid Openeye Name: 2-[[3,5-bis(methoxycarbonyl)phenyl]sulfonylamino]ethanesulfonic acid CAS Name: 2-[[3,5-bis(methoxycarbonyl)phenyl]sulfonylamino]ethanesulfonic acid IUPAC Name: 2-[[3,5-bis(methoxycarbonyl)phenyl]sulfonylamino]ethanesulfonic acid Traditional Name: 2-[(3,5-dicarbomethoxyphenyl)sulfonylamino]ethanesulfonic acid Formula: C12H15NO9S2 MolecularWeight: 381.3788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)NCCS(=O)(=O)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)NCCS(=O)(=O)O)C(=O)OC

InChI

InChI=1S/C12H15NO9S2/c1-21-11(14)8-5-9(12(15)22-2)7-10(6-8)24(19,20)13-3-4-23(16,17)18/h5-7,13H,3-4H2,1-2H3,(H,16,17,18)