methyl 2-[3-azanylpropyl-(2-nitrophenyl)sulfonyl-amino]ethanoate

Systemtic Name: methyl 2-[3-azanylpropyl-(2-nitrophenyl)sulfonyl-amino]ethanoate Openeye Name: methyl 2-[3-aminopropyl-(2-nitrophenyl)sulfonyl-amino]acetate CAS Name: 2-[3-aminopropyl-(2-nitrophenyl)sulfonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[3-aminopropyl-(2-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[3-aminopropyl-(2-nitrophenyl)sulfonyl-amino]acetic acid methyl ester Formula: C12H17N3O6S MolecularWeight: 331.34488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CCCN)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN(CCCN)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O6S/c1-21-12(16)9-14(8-4-7-13)22(19,20)11-6-3-2-5-10(11)15(17)18/h2-3,5-6H,4,7-9,13H2,1H3