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4-[3-(chloromethylsulfonylamino)-2-oxidanyl-phenyl]piperazine-1-carboxylic acid

4-[3-(chloromethylsulfonylamino)-2-oxidanyl-phenyl]piperazine-1-carboxylic acid

Systemtic Name:4-[3-(chloromethylsulfonylamino)-2-oxidanyl-phenyl]piperazine-1-carboxylic acid
Openeye Name:4-[3-(chloromethylsulfonylamino)-2-hydroxy-phenyl]piperazine-1-carboxylic acid
CAS Name:4-[3-(chloromethylsulfonylamino)-2-hydroxyphenyl]-1-piperazinecarboxylic acid
IUPAC Name:4-[3-(chloromethylsulfonylamino)-2-hydroxyphenyl]piperazine-1-carboxylic acid
Traditional Name:4-[3-(chloromethylsulfonylamino)-2-hydroxy-phenyl]piperazine-1-carboxylic acid
Formula: C12H16ClN3O5S
MolecularWeight: 349.79054
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)NS(=O)(=O)CCl)O)C(=O)O


Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)NS(=O)(=O)CCl)O)C(=O)O


InChI

InChI=1S/C12H16ClN3O5S/c13-8-22(20,21)14-9-2-1-3-10(11(9)17)15-4-6-16(7-5-15)12(18)19/h1-3,14,17H,4-8H2,(H,18,19)


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