2-fluoranyl-N-(pyridin-4-ylmethyl)-N-[[3-(3-pyridin-4-ylpropoxy)phenyl]methyl]benzenesulfonamide

Systemtic Name: 2-fluoranyl-N-(pyridin-4-ylmethyl)-N-[[3-(3-pyridin-4-ylpropoxy)phenyl]methyl]benzenesulfonamide Openeye Name: 2-fluoro-N-(4-pyridylmethyl)-N-[[3-[3-(4-pyridyl)propoxy]phenyl]methyl]benzenesulfonamide CAS Name: 2-fluoro-N-(pyridin-4-ylmethyl)-N-[[3-(3-pyridin-4-ylpropoxy)phenyl]methyl]benzenesulfonamide IUPAC Name: 2-fluoro-N-(pyridin-4-ylmethyl)-N-[[3-(3-pyridin-4-ylpropoxy)phenyl]methyl]benzenesulfonamide Traditional Name: 2-fluoro-N-(4-pyridylmethyl)-N-[3-[3-(4-pyridyl)propoxy]benzyl]benzenesulfonamide Formula: C27H26FN3O3S MolecularWeight: 491.577043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)F)S(=O)(=O)N(CC2=CC=NC=C2)CC3=CC(=CC=C3)OCCCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C(=C1)F)S(=O)(=O)N(CC2=CC=NC=C2)CC3=CC(=CC=C3)OCCCC4=CC=NC=C4

InChI

InChI=1S/C27H26FN3O3S/c28-26-8-1-2-9-27(26)35(32,33)31(20-23-12-16-30-17-13-23)21-24-5-3-7-25(19-24)34-18-4-6-22-10-14-29-15-11-22/h1-3,5,7-17,19H,4,6,18,20-21H2