N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-ethoxy-3-fluoranyl-benzenesulfonamide

Systemtic Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-ethoxy-3-fluoranyl-benzenesulfonamide Openeye Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-ethoxy-3-fluoro-benzenesulfonamide CAS Name: N-[2-[4-(1-azepanyl)phenyl]ethyl]-4-ethoxy-3-fluorobenzenesulfonamide IUPAC Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-ethoxy-3-fluorobenzenesulfonamide Traditional Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-ethoxy-3-fluoro-benzenesulfonamide Formula: C22H29FN2O3S MolecularWeight: 420.540663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)N3CCCCCC3)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)N3CCCCCC3)F

InChI

InChI=1S/C22H29FN2O3S/c1-2-28-22-12-11-20(17-21(22)23)29(26,27)24-14-13-18-7-9-19(10-8-18)25-15-5-3-4-6-16-25/h7-12,17,24H,2-6,13-16H2,1H3