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

Systemtic Name: 5-fluoranyl-1-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-fluoro-indoline-2,3-dione CAS Name: 1-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-5-fluoroindole-2,3-dione IUPAC Name: 1-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-fluoroindole-2,3-dione Traditional Name: 1-[(4-besylpiperazin-1-ium-1-yl)methyl]-5-fluoro-isatin Formula: C19H19FN3O4S+ MolecularWeight: 404.435263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)F)C(=O)C2=O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)F)C(=O)C2=O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H18FN3O4S/c20-14-6-7-17-16(12-14)18(24)19(25)23(17)13-21-8-10-22(11-9-21)28(26,27)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2/p+1