N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2,6-bis(fluoranyl)benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2,6-bis(fluoranyl)benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2,6-difluoro-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2,6-difluorobenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,6-difluorobenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2,6-difluoro-benzenesulfonamide Formula: C18H22F2N2O2S2 MolecularWeight: 400.506286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNS(=O)(=O)C2=C(C=CC=C2F)F)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNS(=O)(=O)C2=C(C=CC=C2F)F)C3=CSC=C3

InChI

InChI=1S/C18H22F2N2O2S2/c19-15-6-5-7-16(20)18(15)26(23,24)21-12-17(14-8-11-25-13-14)22-9-3-1-2-4-10-22/h5-8,11,13,17,21H,1-4,9-10,12H2