4-[(4-methoxyphenyl)methylsulfanyl]-1-phenethylsulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)methylsulfanyl]-1-phenethylsulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)methylsulfanyl]-1-phenethylsulfonyl-pyrrolidine-2-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)methylthio]-1-phenethylsulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)methylsulfanyl]-1-phenethylsulfonylpyrrolidine-2-carboxylic acid Traditional Name: 4-(p-anisylthio)-1-phenethylsulfonyl-proline Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(N(C2)S(=O)(=O)CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(N(C2)S(=O)(=O)CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H25NO5S2/c1-27-18-9-7-17(8-10-18)15-28-19-13-20(21(23)24)22(14-19)29(25,26)12-11-16-5-3-2-4-6-16/h2-10,19-20H,11-15H2,1H3,(H,23,24)