2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N,N-di(propan-2-yl)ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N,N-di(propan-2-yl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N,N-diisopropyl-acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N,N-di(propan-2-yl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N,N-diisopropyl-acetamide Formula: C19H31N3O3S2 MolecularWeight: 413.59774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)N(C(C)C)C(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C19H31N3O3S2/c1-15(2)22(16(3)4)19(23)14-26-18-10-9-17(13-20-18)27(24,25)21-11-7-5-6-8-12-21/h9-10,13,15-16H,5-8,11-12,14H2,1-4H3