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

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-4-fluoranyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-4-fluoro-benzamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-4-fluorobenzamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-4-fluorobenzamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-4-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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN3O4S/c24-19-7-5-18(6-8-19)23(28)25-21-17-20(32(29,30)27-13-15-31-16-14-27)9-10-22(21)26-11-3-1-2-4-12-26/h5-10,17H,1-4,11-16H2,(H,25,28)