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2-[[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-(phenylcarbonyl)amino]pentanedioic acid

2-[[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-(phenylcarbonyl)amino]pentanedioic acid

Systemtic Name:2-[[2-chloroethyl(2-methylsulfonyloxyethyl)amino]-(phenylcarbonyl)amino]pentanedioic acid
Openeye Name:2-[benzoyl-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]amino]pentanedioic acid
CAS Name:2-[benzoyl-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]amino]pentanedioic acid
IUPAC Name:2-[benzoyl-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]amino]pentanedioic acid
Traditional Name:2-[benzoyl-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]amino]glutaric acid
Formula: C17H23ClN2O8S
MolecularWeight: 450.89112
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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