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

Systemtic Name: 3-[[4-(2-acetamidoethylamino)-3-nitro-phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-(2-acetamidoethylamino)-3-nitro-phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-(2-acetamidoethylamino)-3-nitrophenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-(2-acetamidoethylamino)-3-nitrophenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-(2-acetamidoethylamino)-3-nitro-phenyl]sulfonylamino]propionic acid Formula: C13H18N4O7S MolecularWeight: 374.36962

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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)