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

Systemtic Name: 6-fluoranyl-1-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 6-fluoro-1-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 6-fluoro-1-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 6-fluoro-1-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 6-fluoro-1-[(4-tosylpiperazin-1-ium-1-yl)methyl]isatin Formula: C20H21FN3O4S+ MolecularWeight: 418.461843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O4S/c1-14-2-5-16(6-3-14)29(27,28)23-10-8-22(9-11-23)13-24-18-12-15(21)4-7-17(18)19(25)20(24)26/h2-7,12H,8-11,13H2,1H3/p+1