(2S)-1-[3,5-bis(chloranyl)phenyl]sulfonyl-4-methyl-piperazine-2-carboxylic acid

Systemtic Name: (2S)-1-[3,5-bis(chloranyl)phenyl]sulfonyl-4-methyl-piperazine-2-carboxylic acid Openeye Name: (2S)-1-(3,5-dichlorophenyl)sulfonyl-4-methyl-piperazine-2-carboxylic acid CAS Name: (2S)-1-(3,5-dichlorophenyl)sulfonyl-4-methyl-2-piperazinecarboxylic acid IUPAC Name: (2S)-1-(3,5-dichlorophenyl)sulfonyl-4-methylpiperazine-2-carboxylic acid Traditional Name: (2S)-1-(3,5-dichlorophenyl)sulfonyl-4-methyl-piperazine-2-carboxylic acid Formula: C12H14Cl2N2O4S MolecularWeight: 353.22156

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CN1CCN([C@@H](C1)C(=O)O)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C12H14Cl2N2O4S/c1-15-2-3-16(11(7-15)12(17)18)21(19,20)10-5-8(13)4-9(14)6-10/h4-6,11H,2-3,7H2,1H3,(H,17,18)/t11-/m0/s1