1-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-fluoranyl-indole-2,3-dione

Systemtic Name: 1-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-fluoranyl-indole-2,3-dione Openeye Name: 1-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-fluoro-indoline-2,3-dione CAS Name: 1-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-fluoroindole-2,3-dione IUPAC Name: 1-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-fluoroindole-2,3-dione Traditional Name: 1-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-fluoro-isatin Formula: C21H23FN3O4S+ MolecularWeight: 432.488423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)F)C(=O)C3=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)F)C(=O)C3=O)C

InChI

InChI=1S/C21H22FN3O4S/c1-14-3-6-19(15(2)11-14)30(28,29)24-9-7-23(8-10-24)13-25-18-5-4-16(22)12-17(18)20(26)21(25)27/h3-6,11-12H,7-10,13H2,1-2H3/p+1