methyl 3-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)sulfanylpropanoate

Systemtic Name: methyl 3-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)sulfanylpropanoate Openeye Name: methyl 3-(2-morpholinosulfonyl-4-nitro-phenyl)sulfanylpropanoate CAS Name: 3-[[2-(4-morpholinylsulfonyl)-4-nitrophenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(2-morpholinosulfonyl-4-nitro-phenyl)thio]propionic acid methyl ester Formula: C14H18N2O7S2 MolecularWeight: 390.43192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCOCC2

Isomeric SMILES

COC(=O)CCSC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C14H18N2O7S2/c1-22-14(17)4-9-24-12-3-2-11(16(18)19)10-13(12)25(20,21)15-5-7-23-8-6-15/h2-3,10H,4-9H2,1H3