(phenylmethyl) 2-[2-(4-methylphenyl)sulfonylethanoyl]pyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-(4-methylphenyl)sulfonylethanoyl]pyrazolidine-1-carboxylate Openeye Name: benzyl 2-[2-(p-tolylsulfonyl)acetyl]pyrazolidine-1-carboxylate CAS Name: 2-[2-(4-methylphenyl)sulfonyl-1-oxoethyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(4-methylphenyl)sulfonylacetyl]pyrazolidine-1-carboxylate Traditional Name: 2-(2-tosylacetyl)pyrazolidine-1-carboxylic acid benzyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCCN2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N2CCCN2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O5S/c1-16-8-10-18(11-9-16)28(25,26)15-19(23)21-12-5-13-22(21)20(24)27-14-17-6-3-2-4-7-17/h2-4,6-11H,5,12-15H2,1H3