N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoranyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoranyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-morpholinosulfonyl-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-fluoro-N-homoveratryl-5-morpholinosulfonyl-benzamide Formula: C21H25FN2O6S MolecularWeight: 452.496403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F)OC

InChI

InChI=1S/C21H25FN2O6S/c1-28-19-6-3-15(13-20(19)29-2)7-8-23-21(25)17-14-16(4-5-18(17)22)31(26,27)24-9-11-30-12-10-24/h3-6,13-14H,7-12H2,1-2H3,(H,23,25)