7-[azanyl-(2-nitrophenyl)sulfonyl-amino]heptanoic acid

Systemtic Name: 7-[azanyl-(2-nitrophenyl)sulfonyl-amino]heptanoic acid Openeye Name: 7-[amino-(2-nitrophenyl)sulfonyl-amino]heptanoic acid CAS Name: 7-[amino-(2-nitrophenyl)sulfonylamino]heptanoic acid IUPAC Name: 7-[amino-(2-nitrophenyl)sulfonylamino]heptanoic acid Traditional Name: 7-[amino-(2-nitrophenyl)sulfonyl-amino]enanthic acid Formula: C13H19N3O6S MolecularWeight: 345.37146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N(CCCCCCC(=O)O)N

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N(CCCCCCC(=O)O)N

InChI

InChI=1S/C13H19N3O6S/c14-15(10-6-2-1-3-9-13(17)18)23(21,22)12-8-5-4-7-11(12)16(19)20/h4-5,7-8H,1-3,6,9-10,14H2,(H,17,18)