4-(azepan-1-ylsulfonyl)-N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(difluoromethylsulfanyl)phenyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(difluoromethylthio)phenyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-(difluoromethylsulfanyl)phenyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-(difluoromethylthio)phenyl]benzamide Formula: C20H22F2N2O3S2 MolecularWeight: 440.527086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SC(F)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3SC(F)F

InChI

InChI=1S/C20H22F2N2O3S2/c21-20(22)28-18-8-4-3-7-17(18)23-19(25)15-9-11-16(12-10-15)29(26,27)24-13-5-1-2-6-14-24/h3-4,7-12,20H,1-2,5-6,13-14H2,(H,23,25)