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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-thiophen-2-ylphenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(2-thienyl)phenyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-thiophen-2-ylphenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-thiophen-2-ylphenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(2-thienyl)phenyl]propionamide Formula: C25H28N2O3S2 MolecularWeight: 468.63142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=CC=C3C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=CC=C3C4=CC=CS4

InChI

InChI=1S/C25H28N2O3S2/c28-25(26-23-9-4-3-8-22(23)24-10-7-19-31-24)16-13-20-11-14-21(15-12-20)32(29,30)27-17-5-1-2-6-18-27/h3-4,7-12,14-15,19H,1-2,5-6,13,16-18H2,(H,26,28)