2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C22H28FN3O4S MolecularWeight: 449.538823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)F

InChI

InChI=1S/C22H28FN3O4S/c1-16-7-8-17(13-19(16)23)25-22(27)15-24-20-14-18(9-10-21(20)30-2)31(28,29)26-11-5-3-4-6-12-26/h7-10,13-14,24H,3-6,11-12,15H2,1-2H3,(H,25,27)