2-azanyl-6-[(3-nitrophenyl)sulfonylamino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 2-azanyl-6-[(3-nitrophenyl)sulfonylamino]-6-oxidanylidene-hexanoic acid Openeye Name: 2-amino-6-[(3-nitrophenyl)sulfonylamino]-6-oxo-hexanoic acid CAS Name: 2-amino-6-[(3-nitrophenyl)sulfonylamino]-6-oxohexanoic acid IUPAC Name: 2-amino-6-[(3-nitrophenyl)sulfonylamino]-6-oxohexanoic acid Traditional Name: 2-amino-6-keto-6-[(3-nitrophenyl)sulfonylamino]hexanoic acid Formula: C12H15N3O7S MolecularWeight: 345.3284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC(=O)CCCC(C(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC(=O)CCCC(C(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O7S/c13-10(12(17)18)5-2-6-11(16)14-23(21,22)9-4-1-3-8(7-9)15(19)20/h1,3-4,7,10H,2,5-6,13H2,(H,14,16)(H,17,18)