3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid

Systemtic Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid Openeye Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid CAS Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid IUPAC Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropanoic acid Traditional Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]sulfonylpropionic acid Formula: C13H17Cl2NO4S MolecularWeight: 354.24938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCCl)CCCl)S(=O)(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1N(CCCl)CCCl)S(=O)(=O)CCC(=O)O

InChI

InChI=1S/C13H17Cl2NO4S/c14-6-8-16(9-7-15)11-1-3-12(4-2-11)21(19,20)10-5-13(17)18/h1-4H,5-10H2,(H,17,18)