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

Systemtic Name: tert-butyl 2-[1-[(4-methoxyphenyl)methylsulfanyl]-3-(4-methylphenyl)sulfonyloxy-propyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[1-[(4-methoxyphenyl)methylsulfanyl]-3-(p-tolylsulfonyloxy)propyl]pyrrolidine-1-carboxylate CAS Name: 2-[1-[(4-methoxyphenyl)methylthio]-3-(4-methylphenyl)sulfonyloxypropyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-[(4-methoxyphenyl)methylsulfanyl]-3-(4-methylphenyl)sulfonyloxypropyl]pyrrolidine-1-carboxylate Traditional Name: 2-[1-(p-anisylthio)-3-tosyloxy-propyl]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)OCCC(C2CCCN2C(=O)OC(C)(C)C)SCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C2CCCN2C(=O)OC(C)(C)C)SCC3=CC=C(C=C3)OC

InChI

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