3-[(4-methylsulfonyl-2-nitro-phenyl)amino]propane-1,2-diol

Systemtic Name: 3-[(4-methylsulfonyl-2-nitro-phenyl)amino]propane-1,2-diol Openeye Name: 3-(4-methylsulfonyl-2-nitro-anilino)propane-1,2-diol CAS Name: 3-(4-methylsulfonyl-2-nitroanilino)propane-1,2-diol IUPAC Name: 3-(4-methylsulfonyl-2-nitroanilino)propane-1,2-diol Traditional Name: 3-(4-mesyl-2-nitro-anilino)propane-1,2-diol Formula: C10H14N2O6S MolecularWeight: 290.29296

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC(CO)O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC(CO)O)[N+](=O)[O-]

InChI

InChI=1S/C10H14N2O6S/c1-19(17,18)8-2-3-9(10(4-8)12(15)16)11-5-7(14)6-13/h2-4,7,11,13-14H,5-6H2,1H3