1-[5-bromanyl-7-(4-cyclopentylpiperazin-4-ium-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone

Systemtic Name: 1-[5-bromanyl-7-(4-cyclopentylpiperazin-4-ium-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone Openeye Name: 1-[5-bromo-7-(4-cyclopentylpiperazin-4-ium-1-yl)sulfonyl-indolin-1-yl]ethanone CAS Name: 1-[5-bromo-7-[(4-cyclopentyl-1-piperazin-4-iumyl)sulfonyl]-2,3-dihydroindol-1-yl]ethanone IUPAC Name: 1-[5-bromo-7-(4-cyclopentylpiperazin-4-ium-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone Traditional Name: 1-[5-bromo-7-(4-cyclopentylpiperazin-4-ium-1-yl)sulfonyl-indolin-1-yl]ethanone Formula: C19H27BrN3O3S+ MolecularWeight: 457.40498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CC[NH+](CC3)C4CCCC4)Br

Isomeric SMILES

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CC[NH+](CC3)C4CCCC4)Br

InChI

InChI=1S/C19H26BrN3O3S/c1-14(24)23-7-6-15-12-16(20)13-18(19(15)23)27(25,26)22-10-8-21(9-11-22)17-4-2-3-5-17/h12-13,17H,2-11H2,1H3/p+1