N-(2-methyl-4-nitro-phenyl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(2-methyl-4-nitrophenyl)-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(2-methyl-4-nitro-phenyl)-2-[(5-morpholinosulfonyl-2-pyridyl)thio]acetamide Formula: C18H20N4O6S2 MolecularWeight: 452.5046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H20N4O6S2/c1-13-10-14(22(24)25)2-4-16(13)20-17(23)12-29-18-5-3-15(11-19-18)30(26,27)21-6-8-28-9-7-21/h2-5,10-11H,6-9,12H2,1H3,(H,20,23)