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5-[bis(2-methylsulfonylethyl)amino]-2,4-dinitro-benzamide

5-[bis(2-methylsulfonylethyl)amino]-2,4-dinitro-benzamide

Systemtic Name:5-[bis(2-methylsulfonylethyl)amino]-2,4-dinitro-benzamide
Openeye Name:5-[bis(2-methylsulfonylethyl)amino]-2,4-dinitro-benzamide
CAS Name:5-[bis(2-methylsulfonylethyl)amino]-2,4-dinitrobenzamide
IUPAC Name:5-[bis(2-methylsulfonylethyl)amino]-2,4-dinitrobenzamide
Traditional Name:5-[bis(2-mesylethyl)amino]-2,4-dinitro-benzamide
Formula: C13H18N4O9S2
MolecularWeight: 438.43342
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCN(CCS(=O)(=O)C)C1=C(C=C(C(=C1)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

CS(=O)(=O)CCN(CCS(=O)(=O)C)C1=C(C=C(C(=C1)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C13H18N4O9S2/c1-27(23,24)5-3-15(4-6-28(2,25)26)11-7-9(13(14)18)10(16(19)20)8-12(11)17(21)22/h7-8H,3-6H2,1-2H3,(H2,14,18)


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