2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

Systemtic Name: 2-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone Openeye Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-indolin-1-yl-ethanone CAS Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-(2,3-dihydroindol-1-yl)ethanone IUPAC Name: 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone Traditional Name: 2-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]-1-indolin-1-yl-ethanone Formula: C20H22ClFN3O3S+ MolecularWeight: 438.923383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C20H21ClFN3O3S/c21-17-13-16(5-6-18(17)22)29(27,28)24-11-9-23(10-12-24)14-20(26)25-8-7-15-3-1-2-4-19(15)25/h1-6,13H,7-12,14H2/p+1