tert-butyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-[3-(4-methylphenyl)sulfonyloxypropyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-[3-(4-methylphenyl)sulfonyloxypropyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-[3-(p-tolylsulfonyloxy)propyl]pyrrolidine-1-carboxylate CAS Name: 4-[(4-methoxyphenyl)methylthio]-2-[3-(4-methylphenyl)sulfonyloxypropyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-[3-(4-methylphenyl)sulfonyloxypropyl]pyrrolidine-1-carboxylate Traditional Name: 4-(p-anisylthio)-2-(3-tosyloxypropyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H37NO6S2 MolecularWeight: 535.71578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2CC(CN2C(=O)OC(C)(C)C)SCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2CC(CN2C(=O)OC(C)(C)C)SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C27H37NO6S2/c1-20-8-14-25(15-9-20)36(30,31)33-16-6-7-22-17-24(18-28(22)26(29)34-27(2,3)4)35-19-21-10-12-23(32-5)13-11-21/h8-15,22,24H,6-7,16-19H2,1-5H3