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

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

Systemtic Name:2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]phenoxy]carbonylamino]pentanedioic acid
Openeye Name:2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]phenoxy]carbonylamino]pentanedioic acid
CAS Name:2-[[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]phenoxy]-oxomethyl]amino]pentanedioic acid
IUPAC Name:2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]phenoxy]carbonylamino]pentanedioic acid
Traditional Name:2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]phenoxy]carbonylamino]glutaric acid
Formula: C17H23ClN2O9S
MolecularWeight: 466.89052
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H23ClN2O9S/c1-30(26,27)28-11-10-20(9-8-18)12-2-4-13(5-3-12)29-17(25)19-14(16(23)24)6-7-15(21)22/h2-5,14H,6-11H2,1H3,(H,19,25)(H,21,22)(H,23,24)


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