(2R,4R)-1-[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2R,4R)-1-[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2R,4R)-4-hydroxy-1-[[5-[2-(p-tolyl)ethynyl]-2-thienyl]sulfonyl]pyrrolidine-2-carboxylic acid CAS Name: (2R,4R)-4-hydroxy-1-[[5-[2-(4-methylphenyl)ethynyl]-2-thiophenyl]sulfonyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2R,4R)-4-hydroxy-1-[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: (2R,4R)-4-hydroxy-1-[[5-[2-(p-tolyl)ethynyl]-2-thienyl]sulfonyl]proline Formula: C18H17NO5S2 MolecularWeight: 391.46128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=CC=C(S2)S(=O)(=O)N3CC(CC3C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=CC=C(S2)S(=O)(=O)N3C[C@@H](C[C@@H]3C(=O)O)O

InChI

InChI=1S/C18H17NO5S2/c1-12-2-4-13(5-3-12)6-7-15-8-9-17(25-15)26(23,24)19-11-14(20)10-16(19)18(21)22/h2-5,8-9,14,16,20H,10-11H2,1H3,(H,21,22)/t14-,16-/m1/s1