N-[1-(3-ethoxy-4-methoxy-phenyl)carbonylpiperidin-4-yl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[1-(3-ethoxy-4-methoxy-phenyl)carbonylpiperidin-4-yl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[1-(3-ethoxy-4-methoxy-benzoyl)-4-piperidyl]-4-fluoro-benzenesulfonamide CAS Name: N-[1-[(3-ethoxy-4-methoxyphenyl)-oxomethyl]-4-piperidinyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[1-(3-ethoxy-4-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide Traditional Name: N-[1-(3-ethoxy-4-methoxy-benzoyl)-4-piperidyl]-4-fluoro-benzenesulfonamide Formula: C21H25FN2O5S MolecularWeight: 436.497003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CCC(CC2)NS(=O)(=O)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C21H25FN2O5S/c1-3-29-20-14-15(4-9-19(20)28-2)21(25)24-12-10-17(11-13-24)23-30(26,27)18-7-5-16(22)6-8-18/h4-9,14,17,23H,3,10-13H2,1-2H3