4-methylsulfonyl-1-phenylmethoxycarbonyl-piperazine-2-carboxylic acid

Systemtic Name: 4-methylsulfonyl-1-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-4-methylsulfonyl-piperazine-2-carboxylic acid CAS Name: 4-methylsulfonyl-1-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 4-methylsulfonyl-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 1-carbobenzoxy-4-mesyl-piperazine-2-carboxylic acid Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C(C1)C(=O)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N1CCN(C(C1)C(=O)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H18N2O6S/c1-23(20,21)15-7-8-16(12(9-15)13(17)18)14(19)22-10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,17,18)