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

Systemtic Name: (4-butylphenyl) 2-[(S)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]ethanoate Openeye Name: (4-butylphenyl) 2-[(S)-(4-methylsulfonyl-2-nitro-phenyl)sulfinyl]acetate CAS Name: 2-[(S)-(4-methylsulfonyl-2-nitrophenyl)sulfinyl]acetic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 2-[(S)-(4-methylsulfonyl-2-nitrophenyl)sulfinyl]acetate Traditional Name: 2-[(S)-(4-mesyl-2-nitro-phenyl)sulfinyl]acetic acid (4-butylphenyl) ester Formula: C19H21NO7S2 MolecularWeight: 439.50254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC(=O)CS(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=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/C19H21NO7S2/c1-3-4-5-14-6-8-15(9-7-14)27-19(21)13-28(24)18-11-10-16(29(2,25)26)12-17(18)20(22)23/h6-12H,3-5,13H2,1-2H3/t28-/m0/s1