N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-(methylthio)nicotinamide Formula: C18H21N3O4S2 MolecularWeight: 407.50704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)SC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H21N3O4S2/c1-13-5-6-14(20-17(22)15-4-3-7-19-18(15)26-2)12-16(13)27(23,24)21-8-10-25-11-9-21/h3-7,12H,8-11H2,1-2H3,(H,20,22)