1-(2,3-dihydroindol-1-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-indolin-1-yl-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(2,3-dihydroindol-1-yl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-indolin-1-yl-2-(4-tosylpiperazin-1-ium-1-yl)ethanone Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C21H25N3O3S/c1-17-6-8-19(9-7-17)28(26,27)23-14-12-22(13-15-23)16-21(25)24-11-10-18-4-2-3-5-20(18)24/h2-9H,10-16H2,1H3/p+1