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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-ethanoyl-2-fluoranyl-phenyl)sulfanyl-ethanamide Openeye Name: 2-(4-acetyl-2-fluoro-phenyl)sulfanyl-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]acetamide CAS Name: 2-[(4-acetyl-2-fluorophenyl)thio]-N-[3-(1-azepanylsulfonyl)-4-methylphenyl]acetamide IUPAC Name: 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]acetamide Traditional Name: 2-[(4-acetyl-2-fluoro-phenyl)thio]-N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]acetamide Formula: C23H27FN2O4S2 MolecularWeight: 478.599883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)C)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)C)F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H27FN2O4S2/c1-16-7-9-19(14-22(16)32(29,30)26-11-5-3-4-6-12-26)25-23(28)15-31-21-10-8-18(17(2)27)13-20(21)24/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,25,28)