N-(3-methylphenyl)-4-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(3-methylphenyl)-4-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-butanamide Openeye Name: 4-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]-N-(m-tolyl)butanamide CAS Name: N-(3-methylphenyl)-4-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]butanamide IUPAC Name: N-(3-methylphenyl)-4-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylbutanamide Traditional Name: 4-[(5-morpholinosulfonyl-2-pyridyl)thio]-N-(m-tolyl)butyramide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H25N3O4S2/c1-16-4-2-5-17(14-16)22-19(24)6-3-13-28-20-8-7-18(15-21-20)29(25,26)23-9-11-27-12-10-23/h2,4-5,7-8,14-15H,3,6,9-13H2,1H3,(H,22,24)