4-(4-ethylpiperazin-1-yl)-6-fluoranyl-3-(phenylsulfonyl)quinoline

Systemtic Name: 4-(4-ethylpiperazin-1-yl)-6-fluoranyl-3-(phenylsulfonyl)quinoline Openeye Name: 3-(benzenesulfonyl)-4-(4-ethylpiperazin-1-yl)-6-fluoro-quinoline CAS Name: 3-(benzenesulfonyl)-4-(4-ethyl-1-piperazinyl)-6-fluoroquinoline IUPAC Name: 3-(benzenesulfonyl)-4-(4-ethylpiperazin-1-yl)-6-fluoroquinoline Traditional Name: 3-besyl-4-(4-ethylpiperazino)-6-fluoro-quinoline Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C3C=C(C=CC3=NC=C2S(=O)(=O)C4=CC=CC=C4)F

Isomeric SMILES

CCN1CCN(CC1)C2=C3C=C(C=CC3=NC=C2S(=O)(=O)C4=CC=CC=C4)F

InChI

InChI=1S/C21H22FN3O2S/c1-2-24-10-12-25(13-11-24)21-18-14-16(22)8-9-19(18)23-15-20(21)28(26,27)17-6-4-3-5-7-17/h3-9,14-15H,2,10-13H2,1H3