2-[[bis(2-methylsulfonyloxyethyl)amino]-phenoxycarbonyl-amino]pentanedioic acid

Systemtic Name: 2-[[bis(2-methylsulfonyloxyethyl)amino]-phenoxycarbonyl-amino]pentanedioic acid Openeye Name: 2-[[bis(2-methylsulfonyloxyethyl)amino]-phenoxycarbonyl-amino]pentanedioic acid CAS Name: 2-[[bis(2-methylsulfonyloxyethyl)amino]-[oxo(phenoxy)methyl]amino]pentanedioic acid IUPAC Name: 2-[[bis(2-methylsulfonyloxyethyl)amino]-phenoxycarbonylamino]pentanedioic acid Traditional Name: 2-[[bis(2-methylsulfonyloxyethyl)amino]-carbophenoxy-amino]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)N(C(CCC(=O)O)C(=O)O)C(=O)OC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)N(C(CCC(=O)O)C(=O)O)C(=O)OC1=CC=CC=C1

InChI

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