(phenylmethyl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: benzyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]acetic acid benzyl ester Formula: C16H15NO6S2 MolecularWeight: 381.4234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SCC(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SCC(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO6S2/c1-25(21,22)13-7-8-15(14(9-13)17(19)20)24-11-16(18)23-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3