(phenylmethyl) 2-(4-methylsulfonylphenyl)carbonylpyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(4-methylsulfonylphenyl)carbonylpyrazolidine-1-carboxylate Openeye Name: benzyl 2-(4-methylsulfonylbenzoyl)pyrazolidine-1-carboxylate CAS Name: 2-[(4-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-methylsulfonylbenzoyl)pyrazolidine-1-carboxylate Traditional Name: 2-(4-mesylbenzoyl)pyrazolidine-1-carboxylic acid benzyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O5S/c1-27(24,25)17-10-8-16(9-11-17)18(22)20-12-5-13-21(20)19(23)26-14-15-6-3-2-4-7-15/h2-4,6-11H,5,12-14H2,1H3