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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)F)C(=O)C2=O)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)F)C(=O)C2=O)S(=O)(=O)CC4=CC=CC=C4

InChI

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