[2-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C25H36N3O3S+ MolecularWeight: 458.63664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H35N3O3S/c1-27(2)20-23-10-6-5-9-22(23)19-26-25(29)16-13-21-11-14-24(15-12-21)32(30,31)28-17-7-3-4-8-18-28/h5-6,9-12,14-15H,3-4,7-8,13,16-20H2,1-2H3,(H,26,29)/p+1