methyl 4-[(4-methoxyphenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl 4-[(4-methoxyphenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylate Openeye Name: methyl 4-[(4-methoxyphenyl)methylsulfanyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 4-[(4-methoxyphenyl)methylthio]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(4-methoxyphenyl)methylsulfanyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 4-(p-anisylthio)-1-tosyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)SCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25NO5S2/c1-15-4-10-19(11-5-15)29(24,25)22-13-18(12-20(22)21(23)27-3)28-14-16-6-8-17(26-2)9-7-16/h4-11,18,20H,12-14H2,1-3H3