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

Systemtic Name: 2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoyl]amino]glutaric acid Formula: C17H23ClN2O8S MolecularWeight: 450.89112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O8S/c1-29(26,27)28-11-10-20(9-8-18)13-4-2-12(3-5-13)16(23)19-14(17(24)25)6-7-15(21)22/h2-5,14H,6-11H2,1H3,(H,19,23)(H,21,22)(H,24,25)