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

Systemtic Name: (phenylmethyl) 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: benzyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid benzyl ester Formula: C16H16N2O6S2 MolecularWeight: 396.43804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S2/c1-25-15-8-7-13(9-14(15)18(20)21)26(22,23)17-10-16(19)24-11-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3