4-[(4-methoxyphenyl)methylsulfanyl]-1-methylsulfonyl-2-[(phenylmethylsulfanyl)methyl]pyrrolidine

Systemtic Name: 4-[(4-methoxyphenyl)methylsulfanyl]-1-methylsulfonyl-2-[(phenylmethylsulfanyl)methyl]pyrrolidine Openeye Name: 2-(benzylsulfanylmethyl)-4-[(4-methoxyphenyl)methylsulfanyl]-1-methylsulfonyl-pyrrolidine CAS Name: 4-[(4-methoxyphenyl)methylthio]-1-methylsulfonyl-2-[(phenylmethylthio)methyl]pyrrolidine IUPAC Name: 2-(benzylsulfanylmethyl)-4-[(4-methoxyphenyl)methylsulfanyl]-1-methylsulfonylpyrrolidine Traditional Name: 2-[(benzylthio)methyl]-1-mesyl-4-(p-anisylthio)pyrrolidine Formula: C21H27NO3S3 MolecularWeight: 437.63898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(N(C2)S(=O)(=O)C)CSCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(N(C2)S(=O)(=O)C)CSCC3=CC=CC=C3

InChI

InChI=1S/C21H27NO3S3/c1-25-20-10-8-18(9-11-20)15-27-21-12-19(22(13-21)28(2,23)24)16-26-14-17-6-4-3-5-7-17/h3-11,19,21H,12-16H2,1-2H3