1-(2,3-dihydroindol-1-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-indolin-1-yl-ethanone CAS Name: 1-(2,3-dihydroindol-1-yl)-2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-indolin-1-yl-ethanone Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-17-7-8-18(2)21(15-17)29(27,28)24-13-11-23(12-14-24)16-22(26)25-10-9-19-5-3-4-6-20(19)25/h3-8,15H,9-14,16H2,1-2H3/p+1