2-[[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[[1-(4-fluorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[1-(4-fluorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[1-(4-fluorophenyl)sulfonylprolyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C20H21FN2O6S MolecularWeight: 436.453943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C20H21FN2O6S/c21-14-5-9-16(10-6-14)30(28,29)23-11-1-2-18(23)19(25)22-17(20(26)27)12-13-3-7-15(24)8-4-13/h3-10,17-18,24H,1-2,11-12H2,(H,22,25)(H,26,27)