N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,3,4,5-tetrakis(fluoranyl)benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,3,4,5-tetrakis(fluoranyl)benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,3,4,5-tetrafluoro-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2,3,4,5-tetrafluorobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2,3,4,5-tetrafluorobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,3,4,5-tetrafluoro-benzamide Formula: C20H20F4N2O3S MolecularWeight: 444.443013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C(=C2F)F)F)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C(=C2F)F)F)F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H20F4N2O3S/c1-12-6-7-13(10-16(12)30(28,29)26-8-4-2-3-5-9-26)25-20(27)14-11-15(21)18(23)19(24)17(14)22/h6-7,10-11H,2-5,8-9H2,1H3,(H,25,27)