3-[[4-(2-acetamidoethylamino)-3-nitro-phenyl]sulfonylamino]propanoate

Systemtic Name: 3-[[4-(2-acetamidoethylamino)-3-nitro-phenyl]sulfonylamino]propanoate Openeye Name: 3-[[4-(2-acetamidoethylamino)-3-nitro-phenyl]sulfonylamino]propanoate CAS Name: 3-[[4-(2-acetamidoethylamino)-3-nitrophenyl]sulfonylamino]propanoate IUPAC Name: 3-[[4-(2-acetamidoethylamino)-3-nitrophenyl]sulfonylamino]propanoate Traditional Name: 3-[[4-(2-acetamidoethylamino)-3-nitro-phenyl]sulfonylamino]propionate Formula: C13H17N4O7S- MolecularWeight: 373.36168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCCNC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O7S/c1-9(18)14-6-7-15-11-3-2-10(8-12(11)17(21)22)25(23,24)16-5-4-13(19)20/h2-3,8,15-16H,4-7H2,1H3,(H,14,18)(H,19,20)/p-1