(2S,4R)-4-(4-methoxyphenyl)sulfanyl-1-naphthalen-2-ylsulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-4-(4-methoxyphenyl)sulfanyl-1-naphthalen-2-ylsulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-4-(4-methoxyphenyl)sulfanyl-1-(2-naphthylsulfonyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-4-[(4-methoxyphenyl)thio]-1-(2-naphthalenylsulfonyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-4-(4-methoxyphenyl)sulfanyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-4-[(4-methoxyphenyl)thio]-1-(2-naphthylsulfonyl)proline Formula: C22H21NO5S2 MolecularWeight: 443.53584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2CC(N(C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S[C@@H]2C[C@H](N(C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C22H21NO5S2/c1-28-17-7-9-18(10-8-17)29-19-13-21(22(24)25)23(14-19)30(26,27)20-11-6-15-4-2-3-5-16(15)12-20/h2-12,19,21H,13-14H2,1H3,(H,24,25)/t19-,21+/m1/s1