N-tert-butyl-4-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[(2-chloro-6-fluorophenyl)methylthio]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[(2-chloro-6-fluoro-benzyl)thio]-3-nitro-benzenesulfonamide Formula: C17H18ClFN2O4S2 MolecularWeight: 432.917223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SCC2=C(C=CC=C2Cl)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)SCC2=C(C=CC=C2Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClFN2O4S2/c1-17(2,3)20-27(24,25)11-7-8-16(15(9-11)21(22)23)26-10-12-13(18)5-4-6-14(12)19/h4-9,20H,10H2,1-3H3