(4-ethanoylphenyl) 2-[(S)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]ethanoate

Systemtic Name: (4-ethanoylphenyl) 2-[(S)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]ethanoate Openeye Name: (4-acetylphenyl) 2-[(S)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]acetate CAS Name: 2-[(S)-(4-methylsulfonyl-2-nitrophenyl)sulfinyl]acetic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 2-[(S)-(4-methylsulfonyl-2-nitrophenyl)sulfinyl]acetate Traditional Name: 2-[(S)-(4-mesyl-2-nitro-phenyl)sulfinyl]acetic acid (4-acetylphenyl) ester Formula: C17H15NO8S2 MolecularWeight: 425.4329

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)CS(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)C[S@](=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO8S2/c1-11(19)12-3-5-13(6-4-12)26-17(20)10-27(23)16-8-7-14(28(2,24)25)9-15(16)18(21)22/h3-9H,10H2,1-2H3/t27-/m0/s1