4-[(2-chloranyl-5-methylsulfonyloxy-phenyl)methyl]-3-oxidanylidene-piperazine-1-carboxylic acid

Systemtic Name: 4-[(2-chloranyl-5-methylsulfonyloxy-phenyl)methyl]-3-oxidanylidene-piperazine-1-carboxylic acid Openeye Name: 4-[(2-chloro-5-methylsulfonyloxy-phenyl)methyl]-3-oxo-piperazine-1-carboxylic acid CAS Name: 4-[(2-chloro-5-methylsulfonyloxyphenyl)methyl]-3-oxo-1-piperazinecarboxylic acid IUPAC Name: 4-[(2-chloro-5-methylsulfonyloxyphenyl)methyl]-3-oxopiperazine-1-carboxylic acid Traditional Name: 4-(2-chloro-5-methylsulfonyloxy-benzyl)-3-keto-piperazine-1-carboxylic acid Formula: C13H15ClN2O6S MolecularWeight: 362.786

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC(=C(C=C1)Cl)CN2CCN(CC2=O)C(=O)O

Isomeric SMILES

CS(=O)(=O)OC1=CC(=C(C=C1)Cl)CN2CCN(CC2=O)C(=O)O

InChI

InChI=1S/C13H15ClN2O6S/c1-23(20,21)22-10-2-3-11(14)9(6-10)7-15-4-5-16(13(18)19)8-12(15)17/h2-3,6H,4-5,7-8H2,1H3,(H,18,19)