4-[4-methoxy-1-(phenylmethylsulfanyl)naphthalen-2-yl]sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 4-[4-methoxy-1-(phenylmethylsulfanyl)naphthalen-2-yl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 4-[(1-benzylsulfanyl-4-methoxy-2-naphthyl)sulfonyl]pyrrolidine-2-carboxylic acid CAS Name: 4-[[4-methoxy-1-(phenylmethylthio)-2-naphthalenyl]sulfonyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(1-benzylsulfanyl-4-methoxynaphthalen-2-yl)sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 4-[[1-(benzylthio)-4-methoxy-2-naphthyl]sulfonyl]proline Formula: C23H23NO5S2 MolecularWeight: 457.56242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C2=CC=CC=C21)SCC3=CC=CC=C3)S(=O)(=O)C4CC(NC4)C(=O)O

Isomeric SMILES

COC1=CC(=C(C2=CC=CC=C21)SCC3=CC=CC=C3)S(=O)(=O)C4CC(NC4)C(=O)O

InChI

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