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

Systemtic Name: 4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)methylsulfanyl]-1-(2-naphthylsulfonyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)methylthio]-1-(2-naphthalenylsulfonyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)methylsulfanyl]-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-(2-naphthylsulfonyl)-4-(p-anisylthio)proline Formula: C23H23NO5S2 MolecularWeight: 457.56242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(N(C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(N(C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C23H23NO5S2/c1-29-19-9-6-16(7-10-19)15-30-20-13-22(23(25)26)24(14-20)31(27,28)21-11-8-17-4-2-3-5-18(17)12-21/h2-12,20,22H,13-15H2,1H3,(H,25,26)