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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CN3C4=CC=CC=C4C(=O)C3=O

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CN3C4=CC=CC=C4C(=O)C3=O

InChI

InChI=1S/C20H20FN3O4S/c21-15-6-8-16(9-7-15)29(27,28)23-11-3-10-22(12-13-23)14-24-18-5-2-1-4-17(18)19(25)20(24)26/h1-2,4-9H,3,10-14H2/p+1