N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3-fluorophenyl)-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(3-fluorophenyl)-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(3-fluorophenyl)-4-methylsulfanyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(3-fluorophenyl)-4-(methylthio)benzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)-4-methylsulfanylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(3-fluorophenyl)-4-(methylthio)benzenesulfonamide Formula: C21H25FN2O3S2 MolecularWeight: 436.563203

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC(=CC=C3)F

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H25FN2O3S2/c1-28-19-9-11-20(12-10-19)29(26,27)24(18-8-6-7-17(22)15-18)16-21(25)23-13-4-2-3-5-14-23/h6-12,15H,2-5,13-14,16H2,1H3