N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-3-yl-ethyl]-2,5-bis(fluoranyl)benzenesulfonamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-3-yl-ethyl]-2,5-bis(fluoranyl)benzenesulfonamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(3-thienyl)ethyl]-2,5-difluoro-benzenesulfonamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-(3-thiophenyl)ethyl]-2,5-difluorobenzenesulfonamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-3-ylethyl]-2,5-difluorobenzenesulfonamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(3-thienyl)ethyl]-2,5-difluoro-benzenesulfonamide Formula: C18H23F2N2O2S2+ MolecularWeight: 401.514226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNS(=O)(=O)C2=C(C=CC(=C2)F)F)C3=CSC=C3

Isomeric SMILES

C1CCC[NH+](CC1)[C@H](CNS(=O)(=O)C2=C(C=CC(=C2)F)F)C3=CSC=C3

InChI

InChI=1S/C18H22F2N2O2S2/c19-15-5-6-16(20)18(11-15)26(23,24)21-12-17(14-7-10-25-13-14)22-8-3-1-2-4-9-22/h5-7,10-11,13,17,21H,1-4,8-9,12H2/p+1/t17-/m1/s1