methyl 1-(4-methylphenyl)sulfonyl-4-(phenylcarbonylsulfanyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-(4-methylphenyl)sulfonyl-4-(phenylcarbonylsulfanyl)pyrrolidine-2-carboxylate Openeye Name: methyl 4-benzoylsulfanyl-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 4-(benzoylthio)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 4-benzoylsulfanyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 4-(benzoylthio)-1-tosyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C20H21NO5S2 MolecularWeight: 419.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)SC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO5S2/c1-14-8-10-17(11-9-14)28(24,25)21-13-16(12-18(21)19(22)26-2)27-20(23)15-6-4-3-5-7-15/h3-11,16,18H,12-13H2,1-2H3