methyl 2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: methyl 2-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: methyl 2-(4-morpholinosulfonyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[[4-(4-morpholinylsulfonyl)-2-nitrophenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-morpholinosulfonyl-2-nitro-phenyl)thio]acetic acid methyl ester Formula: C13H16N2O7S2 MolecularWeight: 376.40534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O7S2/c1-21-13(16)9-23-12-3-2-10(8-11(12)15(17)18)24(19,20)14-4-6-22-7-5-14/h2-3,8H,4-7,9H2,1H3