3-[4-(azepan-1-ylsulfonyl)phenyl]-N-hexyl-propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-hexyl-propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-hexyl-propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-hexylpropanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-hexylpropanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-hexyl-propionamide Formula: C21H34N2O3S MolecularWeight: 394.57126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCCCCCNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C21H34N2O3S/c1-2-3-4-7-16-22-21(24)15-12-19-10-13-20(14-11-19)27(25,26)23-17-8-5-6-9-18-23/h10-11,13-14H,2-9,12,15-18H2,1H3,(H,22,24)