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

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(2-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(2-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)anilino]-N-(2-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(2-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(2-fluoro-4-methyl-phenyl)acetamide Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O3S/c1-16-9-10-20(19(22)13-16)24-21(26)15-23-17-7-6-8-18(14-17)29(27,28)25-11-4-2-3-5-12-25/h6-10,13-14,23H,2-5,11-12,15H2,1H3,(H,24,26)