N-[(2,3-dimethoxyphenyl)methyl]-4-fluoranyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-4-fluoranyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-N-(3-morpholinopropyl)benzenesulfonamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-N-[3-(4-morpholinyl)propyl]benzenesulfonamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-N-(3-morpholin-4-ylpropyl)benzenesulfonamide Traditional Name: 4-fluoro-N-(3-morpholinopropyl)-N-o-veratryl-benzenesulfonamide Formula: C22H29FN2O5S MolecularWeight: 452.539463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN(CCCN2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC(=C1OC)CN(CCCN2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H29FN2O5S/c1-28-21-6-3-5-18(22(21)29-2)17-25(12-4-11-24-13-15-30-16-14-24)31(26,27)20-9-7-19(23)8-10-20/h3,5-10H,4,11-17H2,1-2H3