2-bromanyl-N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-5-fluoranyl-benzamide

Systemtic Name: 2-bromanyl-N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-5-fluoranyl-benzamide Openeye Name: 2-bromo-N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-5-fluoro-benzamide CAS Name: 2-bromo-N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-5-fluorobenzamide IUPAC Name: 2-bromo-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-fluorobenzamide Traditional Name: 2-bromo-N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-5-fluoro-benzamide Formula: C20H22BrFN2O4S MolecularWeight: 485.367083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)F)Br)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)F)Br)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H22BrFN2O4S/c1-2-28-18-9-7-15(23-20(25)16-12-14(22)6-8-17(16)21)13-19(18)29(26,27)24-10-4-3-5-11-24/h6-9,12-13H,2-5,10-11H2,1H3,(H,23,25)