N-[4-[[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]amino]phenyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[4-[[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]amino]phenyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[4-[[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]amino]phenyl]-4-fluoro-benzenesulfonamide CAS Name: N-[4-[[1-(1-azepanyl)-1-oxopropan-2-yl]amino]phenyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[4-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]phenyl]-4-fluorobenzenesulfonamide Traditional Name: N-[4-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]amino]phenyl]-4-fluoro-benzenesulfonamide Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)N1CCCCCC1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O3S/c1-16(21(26)25-14-4-2-3-5-15-25)23-18-8-10-19(11-9-18)24-29(27,28)20-12-6-17(22)7-13-20/h6-13,16,23-24H,2-5,14-15H2,1H3