5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-fluorophenyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 5-(4-fluorophenyl)-1-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)N2C(CCC2C(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2C(=O)O)C3=CC=C(C=C3)F

InChI

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