2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(4-bromanyl-2-fluoranyl-phenyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(4-bromanyl-2-fluoranyl-phenyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(4-bromo-2-fluoro-phenyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)phenoxy]-N-(4-bromo-2-fluorophenyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(4-bromo-2-fluorophenyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(4-bromo-2-fluoro-phenyl)acetamide Formula: C20H22BrFN2O4S MolecularWeight: 485.367083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H22BrFN2O4S/c21-15-5-10-19(18(22)13-15)23-20(25)14-28-16-6-8-17(9-7-16)29(26,27)24-11-3-1-2-4-12-24/h5-10,13H,1-4,11-12,14H2,(H,23,25)