2-[[4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluoranyl-phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluoranyl-phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluoro-benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluorophenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluorobenzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[bis(2-methylsulfonyloxyethyl)amino]-3-fluoro-benzoyl]amino]glutaric acid Formula: C18H25FN2O11S2 MolecularWeight: 528.526303

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=C(C=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)F

Isomeric SMILES

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=C(C=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)F

InChI

InChI=1S/C18H25FN2O11S2/c1-33(27,28)31-9-7-21(8-10-32-34(2,29)30)15-5-3-12(11-13(15)19)17(24)20-14(18(25)26)4-6-16(22)23/h3,5,11,14H,4,6-10H2,1-2H3,(H,20,24)(H,22,23)(H,25,26)