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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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