N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-1-(3-methoxyphenyl)methanesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-1-(3-methoxyphenyl)methanesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-1-(3-methoxyphenyl)methanesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-1-(3-methoxyphenyl)methanesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1-(3-methoxyphenyl)methanesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-1-(3-methoxyphenyl)methanesulfonamide Formula: C20H28N2O3S2 MolecularWeight: 408.57792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CS(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CS(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C20H28N2O3S2/c1-25-19-8-6-7-17(13-19)16-27(23,24)21-14-20(18-9-12-26-15-18)22-10-4-2-3-5-11-22/h6-9,12-13,15,20-21H,2-5,10-11,14,16H2,1H3