2-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[2-methylpropyl-(4-nitrophenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[isobutyl-(4-nitrophenyl)sulfonyl-amino]acetic acid CAS Name: 2-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]acetic acid IUPAC Name: 2-[2-methylpropyl-(4-nitrophenyl)sulfonylamino]acetic acid Traditional Name: 2-[isobutyl(nosyl)amino]acetic acid Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O6S/c1-9(2)7-13(8-12(15)16)21(19,20)11-5-3-10(4-6-11)14(17)18/h3-6,9H,7-8H2,1-2H3,(H,15,16)