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6-azanyl-2-[bis[(4-nitrophenyl)sulfonyl]amino]hexanoic acid

6-azanyl-2-[bis[(4-nitrophenyl)sulfonyl]amino]hexanoic acid

Systemtic Name:6-azanyl-2-[bis[(4-nitrophenyl)sulfonyl]amino]hexanoic acid
Openeye Name:6-amino-2-[bis[(4-nitrophenyl)sulfonyl]amino]hexanoic acid
CAS Name:6-amino-2-[bis[(4-nitrophenyl)sulfonyl]amino]hexanoic acid
IUPAC Name:6-amino-2-[bis[(4-nitrophenyl)sulfonyl]amino]hexanoic acid
Traditional Name:6-amino-2-(dinosylamino)hexanoic acid
Formula: C18H20N4O10S2
MolecularWeight: 516.5022
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)N(C(CCCCN)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]


Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)N(C(CCCCN)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]


InChI

InChI=1S/C18H20N4O10S2/c19-12-2-1-3-17(18(23)24)22(33(29,30)15-8-4-13(5-9-15)20(25)26)34(31,32)16-10-6-14(7-11-16)21(27)28/h4-11,17H,1-3,12,19H2,(H,23,24)


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