3-[[1-(4-fluorophenyl)sulfonyl-3-methylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid

Systemtic Name: 3-[[1-(4-fluorophenyl)sulfonyl-3-methylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(4-fluorophenyl)sulfonyl-3-methylsulfonyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-(4-fluorophenyl)sulfonyl-3-methylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(4-fluorophenyl)sulfonyl-3-methylsulfonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(4-fluorophenyl)sulfonyl-3-mesyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C20H21FN4O9S2 MolecularWeight: 544.530543

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN4O9S2/c1-35(31,32)23-9-10-24(36(33,34)16-7-5-14(21)6-8-16)20(23)19(28)22-17(12-18(26)27)13-3-2-4-15(11-13)25(29)30/h2-8,11,17,20H,9-10,12H2,1H3,(H,22,28)(H,26,27)