2-[2-(4-methylphenyl)sulfonyloxyphenyl]piperazine-1-carboxylic acid

Systemtic Name: 2-[2-(4-methylphenyl)sulfonyloxyphenyl]piperazine-1-carboxylic acid Openeye Name: 2-[2-(p-tolylsulfonyloxy)phenyl]piperazine-1-carboxylic acid CAS Name: 2-[2-(4-methylphenyl)sulfonyloxyphenyl]-1-piperazinecarboxylic acid IUPAC Name: 2-[2-(4-methylphenyl)sulfonyloxyphenyl]piperazine-1-carboxylic acid Traditional Name: 2-(2-tosyloxyphenyl)piperazine-1-carboxylic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3CNCCN3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3CNCCN3C(=O)O

InChI

InChI=1S/C18H20N2O5S/c1-13-6-8-14(9-7-13)26(23,24)25-17-5-3-2-4-15(17)16-12-19-10-11-20(16)18(21)22/h2-9,16,19H,10-12H2,1H3,(H,21,22)