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

Systemtic Name: 3-(4-fluorophenyl)-3-[(1-methylsulfonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]propanoic acid Openeye Name: 3-(4-fluorophenyl)-3-[[1-methylsulfonyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-(4-fluorophenyl)-3-[[(1-methylsulfonyl-3-thiophen-2-ylsulfonyl-2-imidazolidinyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-fluorophenyl)-3-[(1-methylsulfonyl-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-(4-fluorophenyl)-3-[[1-mesyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]propionic acid Formula: C18H20FN3O7S3 MolecularWeight: 505.560703

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H20FN3O7S3/c1-31(26,27)21-8-9-22(32(28,29)16-3-2-10-30-16)18(21)17(25)20-14(11-15(23)24)12-4-6-13(19)7-5-12/h2-7,10,14,18H,8-9,11H2,1H3,(H,20,25)(H,23,24)