5-bromanyl-1-ethanoyl-N-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propyl]-2,3-dihydroindole-7-sulfonamide

Systemtic Name: 5-bromanyl-1-ethanoyl-N-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propyl]-2,3-dihydroindole-7-sulfonamide Openeye Name: 1-acetyl-5-bromo-N-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propyl]indoline-7-sulfonamide CAS Name: 1-acetyl-5-bromo-N-[3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]propyl]-2,3-dihydroindole-7-sulfonamide IUPAC Name: 1-acetyl-5-bromo-N-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propyl]-2,3-dihydroindole-7-sulfonamide Traditional Name: 1-acetyl-5-bromo-N-[3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propyl]indoline-7-sulfonamide Formula: C23H29BrFN4O3S+ MolecularWeight: 540.468763

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)NCCC[NH+]3CCN(CC3)C4=CC=CC=C4F)Br

Isomeric SMILES

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)NCCC[NH+]3CCN(CC3)C4=CC=CC=C4F)Br

InChI

InChI=1S/C23H28BrFN4O3S/c1-17(30)29-10-7-18-15-19(24)16-22(23(18)29)33(31,32)26-8-4-9-27-11-13-28(14-12-27)21-6-3-2-5-20(21)25/h2-3,5-6,15-16,26H,4,7-14H2,1H3/p+1