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

Systemtic Name: 3-[[1-methylsulfonyl-3-(phenylmethyl)sulfonyl-imidazolidin-2-yl]carbonylamino]-3-(3-nitrophenyl)propanoic acid Openeye Name: 3-[(1-benzylsulfonyl-3-methylsulfonyl-imidazolidine-2-carbonyl)amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[[1-methylsulfonyl-3-(phenylmethyl)sulfonyl-2-imidazolidinyl]-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[(1-benzylsulfonyl-3-methylsulfonylimidazolidine-2-carbonyl)amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[(1-benzylsulfonyl-3-mesyl-imidazolidine-2-carbonyl)amino]-3-(3-nitrophenyl)propionic acid Formula: C21H24N4O9S2 MolecularWeight: 540.56666

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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)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCN(C1C(=O)NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O9S2/c1-35(31,32)23-10-11-24(36(33,34)14-15-6-3-2-4-7-15)21(23)20(28)22-18(13-19(26)27)16-8-5-9-17(12-16)25(29)30/h2-9,12,18,21H,10-11,13-14H2,1H3,(H,22,28)(H,26,27)