4-ethanoylsulfanyl-1-naphthalen-2-ylsulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-ethanoylsulfanyl-1-naphthalen-2-ylsulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-acetylsulfanyl-1-(2-naphthylsulfonyl)pyrrolidine-2-carboxylic acid CAS Name: 4-(acetylthio)-1-(2-naphthalenylsulfonyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-acetylsulfanyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid Traditional Name: 4-(acetylthio)-1-(2-naphthylsulfonyl)proline Formula: C17H17NO5S2 MolecularWeight: 379.45058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

CC(=O)SC1CC(N(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C17H17NO5S2/c1-11(19)24-14-9-16(17(20)21)18(10-14)25(22,23)15-7-6-12-4-2-3-5-13(12)8-15/h2-8,14,16H,9-10H2,1H3,(H,20,21)