N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,6-bis(fluoranyl)benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,6-bis(fluoranyl)benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,6-difluoro-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2,6-difluorobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2,6-difluorobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,6-difluoro-benzamide Formula: C20H22F2N2O3S MolecularWeight: 408.462086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22F2N2O3S/c1-14-9-10-15(23-20(25)19-16(21)7-6-8-17(19)22)13-18(14)28(26,27)24-11-4-2-3-5-12-24/h6-10,13H,2-5,11-12H2,1H3,(H,23,25)