N-(3-methylsulfanylphenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanamide

Systemtic Name: N-(3-methylsulfanylphenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)ethanamide Openeye Name: N-(3-methylsulfanylphenyl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)acetamide CAS Name: N-[3-(methylthio)phenyl]-2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]acetamide IUPAC Name: N-(3-methylsulfanylphenyl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide Traditional Name: N-[3-(methylthio)phenyl]-2-(4-morpholinosulfonyl-2-nitro-phenoxy)acetamide Formula: C19H21N3O7S2 MolecularWeight: 467.51594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O7S2/c1-30-15-4-2-3-14(11-15)20-19(23)13-29-18-6-5-16(12-17(18)22(24)25)31(26,27)21-7-9-28-10-8-21/h2-6,11-12H,7-10,13H2,1H3,(H,20,23)