4-fluoranyl-N-[3-[4-[2-(1-methylimidazol-2-yl)sulfanylethylamino]piperidin-1-yl]phenyl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[3-[4-[2-(1-methylimidazol-2-yl)sulfanylethylamino]piperidin-1-yl]phenyl]benzenesulfonamide Openeye Name: 4-fluoro-N-[3-[4-[2-(1-methylimidazol-2-yl)sulfanylethylamino]-1-piperidyl]phenyl]benzenesulfonamide CAS Name: 4-fluoro-N-[3-[4-[2-[(1-methyl-2-imidazolyl)thio]ethylamino]-1-piperidinyl]phenyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[3-[4-[2-(1-methylimidazol-2-yl)sulfanylethylamino]piperidin-1-yl]phenyl]benzenesulfonamide Traditional Name: 4-fluoro-N-[3-[4-[2-[(1-methylimidazol-2-yl)thio]ethylamino]piperidino]phenyl]benzenesulfonamide Formula: C23H28FN5O2S2 MolecularWeight: 489.629123

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC2CCN(CC2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C=CN=C1SCCNC2CCN(CC2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H28FN5O2S2/c1-28-15-11-26-23(28)32-16-12-25-19-9-13-29(14-10-19)21-4-2-3-20(17-21)27-33(30,31)22-7-5-18(24)6-8-22/h2-8,11,15,17,19,25,27H,9-10,12-14,16H2,1H3