5-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(2-fluorophenyl)-4-(p-tolylsulfonyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(2-fluorophenyl)-4-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 5-(2-fluorophenyl)-4-tosyl-proline Formula: C18H18FNO4S MolecularWeight: 363.403223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2CC(NC2C3=CC=CC=C3F)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2CC(NC2C3=CC=CC=C3F)C(=O)O

InChI

InChI=1S/C18H18FNO4S/c1-11-6-8-12(9-7-11)25(23,24)16-10-15(18(21)22)20-17(16)13-4-2-3-5-14(13)19/h2-9,15-17,20H,10H2,1H3,(H,21,22)