3-chloranyl-4-fluoranyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]benzenesulfonamide

Systemtic Name: 3-chloranyl-4-fluoranyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-3-chloro-4-fluoro-benzenesulfonamide CAS Name: 3-chloro-4-fluoro-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-3-chloro-4-fluorobenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-3-chloro-4-fluoro-benzenesulfonamide Formula: C24H26ClFN4O2S MolecularWeight: 489.005243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(CNS(=O)(=O)C3=CC(=C(C=C3)F)Cl)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(CNS(=O)(=O)C3=CC(=C(C=C3)F)Cl)C4=CN=CC=C4

InChI

InChI=1S/C24H26ClFN4O2S/c25-22-15-21(8-9-23(22)26)33(31,32)28-17-24(20-7-4-10-27-16-20)30-13-11-29(12-14-30)18-19-5-2-1-3-6-19/h1-10,15-16,24,28H,11-14,17-18H2