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2-azaniumylethyl-[(4-nitrophenyl)methylsulfonyl]azanide

2-azaniumylethyl-[(4-nitrophenyl)methylsulfonyl]azanide

Systemtic Name:2-azaniumylethyl-[(4-nitrophenyl)methylsulfonyl]azanide
Openeye Name:2-azaniumylethyl-[(4-nitrophenyl)methylsulfonyl]azanide
CAS Name:2-ammonioethyl-[(4-nitrophenyl)methylsulfonyl]azanide
IUPAC Name:2-azaniumylethyl-[(4-nitrophenyl)methylsulfonyl]azanide
Traditional Name:2-ammonioethyl-(4-nitrobenzyl)sulfonyl-azanide
Formula: C9H13N3O4S
MolecularWeight: 259.28222
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)[N-]CC[NH3+])[N+](=O)[O-]


Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)[N-]CC[NH3+])[N+](=O)[O-]


InChI

InChI=1S/C9H12N3O4S/c10-5-6-11-17(15,16)7-8-1-3-9(4-2-8)12(13)14/h1-4H,5-7,10H2/q-1/p+1


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