(2S,4R)-1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-1-(p-tolylsulfonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-1-tosyl-4-(trifluoromethyl)proline Formula: C13H14F3NO4S MolecularWeight: 337.31477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](C[C@H]2C(=O)O)C(F)(F)F

InChI

InChI=1S/C13H14F3NO4S/c1-8-2-4-10(5-3-8)22(20,21)17-7-9(13(14,15)16)6-11(17)12(18)19/h2-5,9,11H,6-7H2,1H3,(H,18,19)/t9-,11+/m1/s1