2-[[4-(2-methylpropylsulfanyl)-3-nitro-phenyl]sulfonylamino]ethanoate

Systemtic Name: 2-[[4-(2-methylpropylsulfanyl)-3-nitro-phenyl]sulfonylamino]ethanoate Openeye Name: 2-[(4-isobutylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(2-methylpropylthio)-3-nitrophenyl]sulfonylamino]acetate IUPAC Name: 2-[[4-(2-methylpropylsulfanyl)-3-nitrophenyl]sulfonylamino]acetate Traditional Name: 2-[[4-(isobutylthio)-3-nitro-phenyl]sulfonylamino]acetate Formula: C12H15N2O6S2- MolecularWeight: 347.3873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O6S2/c1-8(2)7-21-11-4-3-9(5-10(11)14(17)18)22(19,20)13-6-12(15)16/h3-5,8,13H,6-7H2,1-2H3,(H,15,16)/p-1