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4-[(4-nitro-1H-benzimidazol-2-yl)sulfonylamino]nonanedioic acid

4-[(4-nitro-1H-benzimidazol-2-yl)sulfonylamino]nonanedioic acid

Systemtic Name:4-[(4-nitro-1H-benzimidazol-2-yl)sulfonylamino]nonanedioic acid
Openeye Name:4-[(4-nitro-1H-benzimidazol-2-yl)sulfonylamino]nonanedioic acid
CAS Name:4-[(4-nitro-1H-benzimidazol-2-yl)sulfonylamino]nonanedioic acid
IUPAC Name:4-[(4-nitro-1H-benzimidazol-2-yl)sulfonylamino]nonanedioic acid
Traditional Name:4-[(4-nitro-1H-benzimidazol-2-yl)sulfonylamino]azelaic acid
Formula: C16H20N4O8S
MolecularWeight: 428.417
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])N=C(N2)S(=O)(=O)NC(CCCCC(=O)O)CCC(=O)O


Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])N=C(N2)S(=O)(=O)NC(CCCCC(=O)O)CCC(=O)O


InChI

InChI=1S/C16H20N4O8S/c21-13(22)7-2-1-4-10(8-9-14(23)24)19-29(27,28)16-17-11-5-3-6-12(20(25)26)15(11)18-16/h3,5-6,10,19H,1-2,4,7-9H2,(H,17,18)(H,21,22)(H,23,24)


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