N-[[4-(2-ethylsulfonylethoxy)-3-nitro-phenyl]methyl]ethanamine

Systemtic Name: N-[[4-(2-ethylsulfonylethoxy)-3-nitro-phenyl]methyl]ethanamine Openeye Name: N-[[4-(2-ethylsulfonylethoxy)-3-nitro-phenyl]methyl]ethanamine CAS Name: N-[[4-(2-ethylsulfonylethoxy)-3-nitrophenyl]methyl]ethanamine IUPAC Name: N-[[4-(2-ethylsulfonylethoxy)-3-nitrophenyl]methyl]ethanamine Traditional Name: [4-(2-esylethoxy)-3-nitro-benzyl]-ethyl-amine Formula: C13H20N2O5S MolecularWeight: 316.3733

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=CC(=C(C=C1)OCCS(=O)(=O)CC)[N+](=O)[O-]

Isomeric SMILES

CCNCC1=CC(=C(C=C1)OCCS(=O)(=O)CC)[N+](=O)[O-]

InChI

InChI=1S/C13H20N2O5S/c1-3-14-10-11-5-6-13(12(9-11)15(16)17)20-7-8-21(18,19)4-2/h5-6,9,14H,3-4,7-8,10H2,1-2H3