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

Systemtic Name: 1-[5-bromanyl-7-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone Openeye Name: 1-[7-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-5-bromo-indolin-1-yl]ethanone CAS Name: 1-[5-bromo-7-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2,3-dihydroindol-1-yl]ethanone IUPAC Name: 1-[7-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-5-bromo-2,3-dihydroindol-1-yl]ethanone Traditional Name: 1-[7-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-5-bromo-indolin-1-yl]ethanone Formula: C21H25BrN3O3S+ MolecularWeight: 479.4105

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)Br

Isomeric SMILES

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)Br

InChI

InChI=1S/C21H24BrN3O3S/c1-16(26)25-8-7-18-13-19(22)14-20(21(18)25)29(27,28)24-11-9-23(10-12-24)15-17-5-3-2-4-6-17/h2-6,13-14H,7-12,15H2,1H3/p+1