4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoic acid

Systemtic Name: 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoic acid Openeye Name: 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoic acid CAS Name: 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoic acid IUPAC Name: 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoic acid Traditional Name: 4-[2-chloroethyl(2-methylsulfonyloxyethyl)amino]benzoic acid Formula: C12H16ClNO5S MolecularWeight: 321.77714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClNO5S/c1-20(17,18)19-9-8-14(7-6-13)11-4-2-10(3-5-11)12(15)16/h2-5H,6-9H2,1H3,(H,15,16)