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

Systemtic Name: 2-[[1-[(4-nitrophenyl)methylsulfonylamino]ethyl-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[hydroxy-[1-[(4-nitrophenyl)methylsulfonylamino]ethyl]phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[hydroxy-[1-[(4-nitrophenyl)methylsulfonylamino]ethyl]phosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[hydroxy-[1-[(4-nitrophenyl)methylsulfonylamino]ethyl]phosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[hydroxy-[1-[(4-nitrobenzyl)sulfonylamino]ethyl]phosphoryl]methyl]glutaric acid Formula: C15H21N2O10PS MolecularWeight: 452.373401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N2O10PS/c1-10(28(24,25)8-12(15(20)21)4-7-14(18)19)16-29(26,27)9-11-2-5-13(6-3-11)17(22)23/h2-3,5-6,10,12,16H,4,7-9H2,1H3,(H,18,19)(H,20,21)(H,24,25)