4-[3-(methylsulfonylmethyl)phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[3-(methylsulfonylmethyl)phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[3-(methylsulfonylmethyl)phenyl]piperazine-1-carboxylic acid CAS Name: 4-[3-(methylsulfonylmethyl)phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[3-(methylsulfonylmethyl)phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[3-(mesylmethyl)phenyl]piperazine-1-carboxylic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC(=CC=C1)N2CCN(CC2)C(=O)O

Isomeric SMILES

CS(=O)(=O)CC1=CC(=CC=C1)N2CCN(CC2)C(=O)O

InChI

InChI=1S/C13H18N2O4S/c1-20(18,19)10-11-3-2-4-12(9-11)14-5-7-15(8-6-14)13(16)17/h2-4,9H,5-8,10H2,1H3,(H,16,17)