1-(1,3-diphenylpropylsulfonyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(1,3-diphenylpropylsulfonyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(1,3-diphenylpropylsulfonyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid CAS Name: 1-(1,3-diphenylpropylsulfonyl)-4-[(4-methoxyphenyl)methylthio]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(1,3-diphenylpropylsulfonyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-(1,3-diphenylpropylsulfonyl)-4-(p-anisylthio)proline Formula: C28H31NO5S2 MolecularWeight: 525.67944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(N(C2)S(=O)(=O)C(CCC3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(N(C2)S(=O)(=O)C(CCC3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H31NO5S2/c1-34-24-15-12-22(13-16-24)20-35-25-18-26(28(30)31)29(19-25)36(32,33)27(23-10-6-3-7-11-23)17-14-21-8-4-2-5-9-21/h2-13,15-16,25-27H,14,17-20H2,1H3,(H,30,31)