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

Systemtic Name: 5-fluoranyl-1-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 5-fluoro-1-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 5-fluoro-1-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]indole-2,3-dione IUPAC Name: 5-fluoro-1-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 5-fluoro-1-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]isatin Formula: C20H20F2N3O4S+ MolecularWeight: 436.452306

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CN3C4=C(C=C(C=C4)F)C(=O)C3=O

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CN3C4=C(C=C(C=C4)F)C(=O)C3=O

InChI

InChI=1S/C20H19F2N3O4S/c21-14-2-5-16(6-3-14)30(28,29)24-9-1-8-23(10-11-24)13-25-18-7-4-15(22)12-17(18)19(26)20(25)27/h2-7,12H,1,8-11,13H2/p+1