4-[[2,2-bis(fluoranyl)-2-phenylsulfanyl-ethyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[2,2-bis(fluoranyl)-2-phenylsulfanyl-ethyl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[(2,2-difluoro-2-phenylsulfanyl-ethyl)amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[2,2-difluoro-2-(phenylthio)ethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(2,2-difluoro-2-phenylsulfanylethyl)amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[2,2-difluoro-2-(phenylthio)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C14H13F2N3O4S2 MolecularWeight: 389.397526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(CNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])(F)F

Isomeric SMILES

C1=CC=C(C=C1)SC(CNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])(F)F

InChI

InChI=1S/C14H13F2N3O4S2/c15-14(16,24-10-4-2-1-3-5-10)9-18-12-7-6-11(25(17,22)23)8-13(12)19(20)21/h1-8,18H,9H2,(H2,17,22,23)