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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[[3-(methylsulfonylamino)phenyl]methyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(methanesulfonamido)benzyl]propionamide Formula: C23H31N3O5S2 MolecularWeight: 493.63934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H31N3O5S2/c1-32(28,29)25-21-8-6-7-20(17-21)18-24-23(27)14-11-19-9-12-22(13-10-19)33(30,31)26-15-4-2-3-5-16-26/h6-10,12-13,17,25H,2-5,11,14-16,18H2,1H3,(H,24,27)