3-(4-chlorophenyl)sulfonyl-4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-quinoline

Systemtic Name: 3-(4-chlorophenyl)sulfonyl-4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-quinoline Openeye Name: 3-(4-chlorophenyl)sulfonyl-4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-quinoline CAS Name: 3-(4-chlorophenyl)sulfonyl-4-(4-ethyl-1-piperazin-4-iumyl)-6-fluoroquinoline IUPAC Name: 3-(4-chlorophenyl)sulfonyl-4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoroquinoline Traditional Name: 3-(4-chlorophenyl)sulfonyl-4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-quinoline Formula: C21H22ClFN3O2S+ MolecularWeight: 434.934683

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C3C=C(C=CC3=NC=C2S(=O)(=O)C4=CC=C(C=C4)Cl)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C3C=C(C=CC3=NC=C2S(=O)(=O)C4=CC=C(C=C4)Cl)F

InChI

InChI=1S/C21H21ClFN3O2S/c1-2-25-9-11-26(12-10-25)21-18-13-16(23)5-8-19(18)24-14-20(21)29(27,28)17-6-3-15(22)4-7-17/h3-8,13-14H,2,9-12H2,1H3/p+1