3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]propanoic acid

Systemtic Name: 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]propanoic acid Openeye Name: 3-[5-(4-fluorophenyl)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]propanoic acid CAS Name: 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]propanoic acid IUPAC Name: 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]propanoic acid Traditional Name: 3-[5-(4-fluorophenyl)-1-tosyl-pyrrolidin-2-yl]propionic acid Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2C3=CC=C(C=C3)F)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2C3=CC=C(C=C3)F)CCC(=O)O

InChI

InChI=1S/C20H22FNO4S/c1-14-2-10-18(11-3-14)27(25,26)22-17(9-13-20(23)24)8-12-19(22)15-4-6-16(21)7-5-15/h2-7,10-11,17,19H,8-9,12-13H2,1H3,(H,23,24)