N-[3-(azepan-1-ium-1-yl)propyl]-5-bromanyl-1-ethanoyl-2,3-dihydroindole-7-sulfonamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-5-bromanyl-1-ethanoyl-2,3-dihydroindole-7-sulfonamide Openeye Name: 1-acetyl-N-[3-(azepan-1-ium-1-yl)propyl]-5-bromo-indoline-7-sulfonamide CAS Name: 1-acetyl-N-[3-(1-azepan-1-iumyl)propyl]-5-bromo-2,3-dihydroindole-7-sulfonamide IUPAC Name: 1-acetyl-N-[3-(azepan-1-ium-1-yl)propyl]-5-bromo-2,3-dihydroindole-7-sulfonamide Traditional Name: 1-acetyl-N-[3-(azepan-1-ium-1-yl)propyl]-5-bromo-indoline-7-sulfonamide Formula: C19H29BrN3O3S+ MolecularWeight: 459.42086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)NCCC[NH+]3CCCCCC3)Br

Isomeric SMILES

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)NCCC[NH+]3CCCCCC3)Br

InChI

InChI=1S/C19H28BrN3O3S/c1-15(24)23-12-7-16-13-17(20)14-18(19(16)23)27(25,26)21-8-6-11-22-9-4-2-3-5-10-22/h13-14,21H,2-12H2,1H3/p+1