2-[[[2-methyl-1-[(4-nitrophenyl)methylsulfonylamino]propyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid

Systemtic Name: 2-[[[2-methyl-1-[(4-nitrophenyl)methylsulfonylamino]propyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[hydroxy-[2-methyl-1-[(4-nitrophenyl)methylsulfonylamino]propyl]phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[hydroxy-[2-methyl-1-[(4-nitrophenyl)methylsulfonylamino]propyl]phosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[hydroxy-[2-methyl-1-[(4-nitrophenyl)methylsulfonylamino]propyl]phosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[hydroxy-[2-methyl-1-[(4-nitrobenzyl)sulfonylamino]propyl]phosphoryl]methyl]glutaric acid Formula: C17H25N2O10PS MolecularWeight: 480.426561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NS(=O)(=O)CC1=CC=C(C=C1)[N+](=O)[O-])P(=O)(CC(CCC(=O)O)C(=O)O)O

Isomeric SMILES

CC(C)C(NS(=O)(=O)CC1=CC=C(C=C1)[N+](=O)[O-])P(=O)(CC(CCC(=O)O)C(=O)O)O

InChI

InChI=1S/C17H25N2O10PS/c1-11(2)16(30(26,27)9-13(17(22)23)5-8-15(20)21)18-31(28,29)10-12-3-6-14(7-4-12)19(24)25/h3-4,6-7,11,13,16,18H,5,8-10H2,1-2H3,(H,20,21)(H,22,23)(H,26,27)