N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-chloranyl-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-chloranyl-4-fluoranyl-benzenesulfonamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-chloro-4-fluoro-benzenesulfonamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-3-chloro-4-fluorobenzenesulfonamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-chloro-4-fluorobenzenesulfonamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-chloro-4-fluoro-benzenesulfonamide Formula: C18H22ClFN4O3S MolecularWeight: 428.908683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC=N2)OCCNS(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC=N2)OCCNS(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H22ClFN4O3S/c19-15-11-14(5-6-16(15)20)28(25,26)23-7-10-27-18-12-17(21-13-22-18)24-8-3-1-2-4-9-24/h5-6,11-13,23H,1-4,7-10H2