N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-fluoro-benzamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-2-fluorobenzamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2-fluorobenzamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-fluoro-benzamide Formula: C23H28FN3O4S MolecularWeight: 461.549523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C23H28FN3O4S/c24-20-8-4-3-7-19(20)23(28)25-21-17-18(32(29,30)27-13-15-31-16-14-27)9-10-22(21)26-11-5-1-2-6-12-26/h3-4,7-10,17H,1-2,5-6,11-16H2,(H,25,28)