1-(2,3-dihydroindol-1-yl)-3-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-3-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Openeye Name: 3-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-indolin-1-yl-propan-1-one CAS Name: 3-[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-(2,3-dihydroindol-1-yl)-1-propanone IUPAC Name: 3-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one Traditional Name: 3-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-indolin-1-yl-propan-1-one Formula: C23H28N3O4S+ MolecularWeight: 442.55112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-18(27)19-6-8-21(9-7-19)31(29,30)25-16-14-24(15-17-25)12-11-23(28)26-13-10-20-4-2-3-5-22(20)26/h2-9H,10-17H2,1H3/p+1