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

Systemtic Name: 3-[(1-methylsulfonyl-3-thiophen-2-ylsulfonyl-imidazolidin-2-yl)carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[[1-methylsulfonyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[(1-methylsulfonyl-3-thiophen-2-ylsulfonyl-2-imidazolidinyl)-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[(1-methylsulfonyl-3-thiophen-2-ylsulfonylimidazolidine-2-carbonyl)amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[1-mesyl-3-(2-thienylsulfonyl)imidazolidine-2-carbonyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C18H20N4O9S3 MolecularWeight: 532.5678

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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=CS3

Isomeric SMILES

CS(=O)(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H20N4O9S3/c1-33(28,29)20-7-8-21(34(30,31)16-6-3-9-32-16)18(20)17(25)19-14(11-15(23)24)12-4-2-5-13(10-12)22(26)27/h2-6,9-10,14,18H,7-8,11H2,1H3,(H,19,25)(H,23,24)