6-[methyl-(3-nitrophenyl)sulfonyl-amino]hexanoic acid

Systemtic Name: 6-[methyl-(3-nitrophenyl)sulfonyl-amino]hexanoic acid Openeye Name: 6-[methyl-(3-nitrophenyl)sulfonyl-amino]hexanoic acid CAS Name: 6-[methyl-(3-nitrophenyl)sulfonylamino]hexanoic acid IUPAC Name: 6-[methyl-(3-nitrophenyl)sulfonylamino]hexanoic acid Traditional Name: 6-[methyl-(3-nitrophenyl)sulfonyl-amino]hexanoic acid Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCC(=O)O)S(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]

Isomeric SMILES

CN(CCCCCC(=O)O)S(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O6S/c1-14(9-4-2-3-8-13(16)17)22(20,21)12-7-5-6-11(10-12)15(18)19/h5-7,10H,2-4,8-9H2,1H3,(H,16,17)