N-[1-(4-butoxyphenyl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide

Systemtic Name: N-[1-(4-butoxyphenyl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide Openeye Name: N-[1-(4-butoxyphenyl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide CAS Name: N-[1-(4-butoxyphenyl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide IUPAC Name: N-[1-(4-butoxyphenyl)ethyl]-3-[(2-fluorophenyl)methylsulfonyl]propanamide Traditional Name: N-[1-(4-butoxyphenyl)ethyl]-3-(2-fluorobenzyl)sulfonyl-propionamide Formula: C22H28FNO4S MolecularWeight: 421.525423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(C)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2F

InChI

InChI=1S/C22H28FNO4S/c1-3-4-14-28-20-11-9-18(10-12-20)17(2)24-22(25)13-15-29(26,27)16-19-7-5-6-8-21(19)23/h5-12,17H,3-4,13-16H2,1-2H3,(H,24,25)