(phenylmethyl) 2-[2-[2-(phenylsulfonyl)ethylsulfanyl]ethanoyl]pyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-[2-(phenylsulfonyl)ethylsulfanyl]ethanoyl]pyrazolidine-1-carboxylate Openeye Name: benzyl 2-[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]pyrazolidine-1-carboxylate CAS Name: 2-[2-[2-(benzenesulfonyl)ethylthio]-1-oxoethyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[2-(benzenesulfonyl)ethylsulfanyl]acetyl]pyrazolidine-1-carboxylate Traditional Name: 2-[2-(2-besylethylthio)acetyl]pyrazolidine-1-carboxylic acid benzyl ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)CSCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)CSCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S2/c24-20(17-29-14-15-30(26,27)19-10-5-2-6-11-19)22-12-7-13-23(22)21(25)28-16-18-8-3-1-4-9-18/h1-6,8-11H,7,12-17H2