1-(2,3-dihydroindol-1-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-indolin-1-yl-ethanone CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-(2,3-dihydroindol-1-yl)ethanone IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-1-indolin-1-yl-ethanone Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H23N3O3S/c24-20(23-11-10-17-6-4-5-9-19(17)23)16-21-12-14-22(15-13-21)27(25,26)18-7-2-1-3-8-18/h1-9H,10-16H2/p+1