N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-[bis(fluoranyl)methylsulfonyl]benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-[bis(fluoranyl)methylsulfonyl]benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(difluoromethylsulfonyl)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-(difluoromethylsulfonyl)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(difluoromethylsulfonyl)benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(difluoromethylsulfonyl)benzamide Formula: C21H24F2N2O5S2 MolecularWeight: 486.552466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24F2N2O5S2/c1-15-6-9-17(14-19(15)32(29,30)25-12-4-2-3-5-13-25)24-20(26)16-7-10-18(11-8-16)31(27,28)21(22)23/h6-11,14,21H,2-5,12-13H2,1H3,(H,24,26)