2-[[4-[bis(2-methylsulfonyloxyethyl)amino]phenoxy]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[bis(2-methylsulfonyloxyethyl)amino]phenoxy]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[bis(2-methylsulfonyloxyethyl)amino]phenoxy]carbonylamino]pentanedioic acid CAS Name: 2-[[[4-[bis(2-methylsulfonyloxyethyl)amino]phenoxy]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[bis(2-methylsulfonyloxyethyl)amino]phenoxy]carbonylamino]pentanedioic acid Traditional Name: 2-[[4-[bis(2-methylsulfonyloxyethyl)amino]phenoxy]carbonylamino]glutaric acid Formula: C18H26N2O12S2 MolecularWeight: 526.53524

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)OC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)OC(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C18H26N2O12S2/c1-33(26,27)30-11-9-20(10-12-31-34(2,28)29)13-3-5-14(6-4-13)32-18(25)19-15(17(23)24)7-8-16(21)22/h3-6,15H,7-12H2,1-2H3,(H,19,25)(H,21,22)(H,23,24)