(phenylmethyl) 2-(3-chloranyl-4-methylsulfonyl-thiophen-2-yl)carbonylpyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(3-chloranyl-4-methylsulfonyl-thiophen-2-yl)carbonylpyrazolidine-1-carboxylate Openeye Name: benzyl 2-(3-chloro-4-methylsulfonyl-thiophene-2-carbonyl)pyrazolidine-1-carboxylate CAS Name: 2-[(3-chloro-4-methylsulfonyl-2-thiophenyl)-oxomethyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-chloro-4-methylsulfonylthiophene-2-carbonyl)pyrazolidine-1-carboxylate Traditional Name: 2-(3-chloro-4-mesyl-thiophene-2-carbonyl)pyrazolidine-1-carboxylic acid benzyl ester Formula: C17H17ClN2O5S2 MolecularWeight: 428.91028

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CSC(=C1Cl)C(=O)N2CCCN2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CSC(=C1Cl)C(=O)N2CCCN2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H17ClN2O5S2/c1-27(23,24)13-11-26-15(14(13)18)16(21)19-8-5-9-20(19)17(22)25-10-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3