(phenylmethyl) 4-[2-(4-methylphenyl)sulfonyloxyethyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-(4-methylphenyl)sulfonyloxyethyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[2-(p-tolylsulfonyloxy)ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-methylphenyl)sulfonyloxyethyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-(4-methylphenyl)sulfonyloxyethyl]piperazine-1-carboxylate Traditional Name: 4-(2-tosyloxyethyl)piperazine-1-carboxylic acid benzyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2CCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2CCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O5S/c1-18-7-9-20(10-8-18)29(25,26)28-16-15-22-11-13-23(14-12-22)21(24)27-17-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3