4-[bis(2-methylsulfonyloxyethyl)amino]benzoic acid

Systemtic Name: 4-[bis(2-methylsulfonyloxyethyl)amino]benzoic acid Openeye Name: 4-[bis(2-methylsulfonyloxyethyl)amino]benzoic acid CAS Name: 4-[bis(2-methylsulfonyloxyethyl)amino]benzoic acid IUPAC Name: 4-[bis(2-methylsulfonyloxyethyl)amino]benzoic acid Traditional Name: 4-[bis(2-methylsulfonyloxyethyl)amino]benzoic acid Formula: C13H19NO8S2 MolecularWeight: 381.42186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H19NO8S2/c1-23(17,18)21-9-7-14(8-10-22-24(2,19)20)12-5-3-11(4-6-12)13(15)16/h3-6H,7-10H2,1-2H3,(H,15,16)