3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1-thiophen-2-ylethyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1-thiophen-2-ylethyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(2-thienyl)ethyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(1-thiophen-2-ylethyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1-thiophen-2-ylethyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(2-thienyl)ethyl]propionamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C1=CC=CS1)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H28N2O3S2/c1-17(20-7-6-16-27-20)22-21(24)13-10-18-8-11-19(12-9-18)28(25,26)23-14-4-2-3-5-15-23/h6-9,11-12,16-17H,2-5,10,13-15H2,1H3,(H,22,24)