N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2,5-dimethoxy-benzenesulfonamide

Systemtic Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2,5-dimethoxy-benzenesulfonamide Openeye Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2,5-dimethoxy-benzenesulfonamide CAS Name: N-[2-[4-(1-azepanyl)phenyl]ethyl]-2,5-dimethoxybenzenesulfonamide IUPAC Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2,5-dimethoxybenzenesulfonamide Traditional Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2,5-dimethoxy-benzenesulfonamide Formula: C22H30N2O4S MolecularWeight: 418.5496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)NCCC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)NCCC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C22H30N2O4S/c1-27-20-11-12-21(28-2)22(17-20)29(25,26)23-14-13-18-7-9-19(10-8-18)24-15-5-3-4-6-16-24/h7-12,17,23H,3-6,13-16H2,1-2H3