N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-fluoranyl-benzenesulfonamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-fluoranyl-benzenesulfonamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-fluoro-benzenesulfonamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-fluorobenzenesulfonamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-fluorobenzenesulfonamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-fluoro-benzenesulfonamide Formula: C18H23FN4O3S MolecularWeight: 394.463623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC=N2)OCCNS(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC=N2)OCCNS(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C18H23FN4O3S/c19-15-7-3-4-8-16(15)27(24,25)22-9-12-26-18-13-17(20-14-21-18)23-10-5-1-2-6-11-23/h3-4,7-8,13-14,22H,1-2,5-6,9-12H2