4-[2-chloranyl-6-(methylsulfonylamino)phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-chloranyl-6-(methylsulfonylamino)phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-chloro-6-(methanesulfonamido)phenyl]piperazine-1-carboxylic acid CAS Name: 4-[2-chloro-6-(methanesulfonamido)phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-chloro-6-(methanesulfonamido)phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-chloro-6-(methanesulfonamido)phenyl]piperazine-1-carboxylic acid Formula: C12H16ClN3O4S MolecularWeight: 333.79114

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C(=CC=C1)Cl)N2CCN(CC2)C(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=C(C(=CC=C1)Cl)N2CCN(CC2)C(=O)O

InChI

InChI=1S/C12H16ClN3O4S/c1-21(19,20)14-10-4-2-3-9(13)11(10)15-5-7-16(8-6-15)12(17)18/h2-4,14H,5-8H2,1H3,(H,17,18)