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

Systemtic Name: 3-[[1-(4-fluorophenyl)sulfonyl-3-propylsulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-(4-fluorophenyl)sulfonyl-3-propylsulfonyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-(4-fluorophenyl)sulfonyl-3-propylsulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[1-(4-fluorophenyl)sulfonyl-3-propylsulfonylimidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-(4-fluorophenyl)sulfonyl-3-propylsulfonyl-imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C22H25FN4O9S2 MolecularWeight: 572.583703

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=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

CCCS(=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/C22H25FN4O9S2/c1-2-12-37(33,34)25-10-11-26(38(35,36)18-8-6-16(23)7-9-18)22(25)21(30)24-19(14-20(28)29)15-4-3-5-17(13-15)27(31)32/h3-9,13,19,22H,2,10-12,14H2,1H3,(H,24,30)(H,28,29)