2-[[3,5-bis(methoxycarbonyl)phenyl]sulfonyl-methyl-amino]ethanesulfonic acid

Systemtic Name: 2-[[3,5-bis(methoxycarbonyl)phenyl]sulfonyl-methyl-amino]ethanesulfonic acid Openeye Name: 2-[[3,5-bis(methoxycarbonyl)phenyl]sulfonyl-methyl-amino]ethanesulfonic acid CAS Name: 2-[[3,5-bis(methoxycarbonyl)phenyl]sulfonyl-methylamino]ethanesulfonic acid IUPAC Name: 2-[[3,5-bis(methoxycarbonyl)phenyl]sulfonyl-methylamino]ethanesulfonic acid Traditional Name: 2-[(3,5-dicarbomethoxyphenyl)sulfonyl-methyl-amino]ethanesulfonic acid Formula: C13H17NO9S2 MolecularWeight: 395.40538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCS(=O)(=O)O)S(=O)(=O)C1=CC(=CC(=C1)C(=O)OC)C(=O)OC

Isomeric SMILES

CN(CCS(=O)(=O)O)S(=O)(=O)C1=CC(=CC(=C1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C13H17NO9S2/c1-14(4-5-24(17,18)19)25(20,21)11-7-9(12(15)22-2)6-10(8-11)13(16)23-3/h6-8H,4-5H2,1-3H3,(H,17,18,19)