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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(5-fluoranyl-2-methyl-phenyl)amino]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(5-fluoro-2-methyl-anilino)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(5-fluoro-2-methylanilino)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(5-fluoro-2-methylanilino)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(5-fluoro-2-methyl-anilino)acetamide Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)F)NCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26FN3O3S/c1-16-9-10-17(22)13-20(16)23-15-21(26)24-18-7-6-8-19(14-18)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)