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

Systemtic Name: 2-[[[2-methyl-1-[(4-nitrophenyl)methylsulfonylamino]butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[hydroxy-[2-methyl-1-[(4-nitrophenyl)methylsulfonylamino]butyl]phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[hydroxy-[2-methyl-1-[(4-nitrophenyl)methylsulfonylamino]butyl]phosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[hydroxy-[2-methyl-1-[(4-nitrophenyl)methylsulfonylamino]butyl]phosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[hydroxy-[2-methyl-1-[(4-nitrobenzyl)sulfonylamino]butyl]phosphoryl]methyl]glutaric acid Formula: C18H27N2O10PS MolecularWeight: 494.453141

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/C18H27N2O10PS/c1-3-12(2)17(31(27,28)10-14(18(23)24)6-9-16(21)22)19-32(29,30)11-13-4-7-15(8-5-13)20(25)26/h4-5,7-8,12,14,17,19H,3,6,9-11H2,1-2H3,(H,21,22)(H,23,24)(H,27,28)