N-[(3,4-dimethoxyphenyl)methyl]-4-fluoranyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-fluoranyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4-fluoro-N-(3-morpholinopropyl)benzenesulfonamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-fluoro-N-[3-(4-morpholinyl)propyl]benzenesulfonamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-fluoro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide Traditional Name: 4-fluoro-N-(3-morpholinopropyl)-N-veratryl-benzenesulfonamide Formula: C22H29FN2O5S MolecularWeight: 452.539463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CCCN2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CCCN2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C22H29FN2O5S/c1-28-21-9-4-18(16-22(21)29-2)17-25(11-3-10-24-12-14-30-15-13-24)31(26,27)20-7-5-19(23)6-8-20/h4-9,16H,3,10-15,17H2,1-2H3