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

Systemtic Name: 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-indole-2,3-dione Openeye Name: 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-indoline-2,3-dione CAS Name: 1-[[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-methylindole-2,3-dione IUPAC Name: 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methylindole-2,3-dione Traditional Name: 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-isatin Formula: C20H21FN3O4S+ MolecularWeight: 418.461843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

InChI

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