N-[2-(azepan-1-yl)phenyl]-4-[bis(fluoranyl)methylsulfonyl]benzamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-4-[bis(fluoranyl)methylsulfonyl]benzamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-4-(difluoromethylsulfonyl)benzamide CAS Name: N-[2-(1-azepanyl)phenyl]-4-(difluoromethylsulfonyl)benzamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-4-(difluoromethylsulfonyl)benzamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-4-(difluoromethylsulfonyl)benzamide Formula: C20H22F2N2O3S MolecularWeight: 408.462086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F

InChI

InChI=1S/C20H22F2N2O3S/c21-20(22)28(26,27)16-11-9-15(10-12-16)19(25)23-17-7-3-4-8-18(17)24-13-5-1-2-6-14-24/h3-4,7-12,20H,1-2,5-6,13-14H2,(H,23,25)