4-fluoranyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-nitro-benzenesulfonamide Openeye Name: 4-fluoro-3-nitro-N-[2-(p-tolylmethylsulfanyl)ethyl]benzenesulfonamide CAS Name: 4-fluoro-N-[2-[(4-methylphenyl)methylthio]ethyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-fluoro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-nitrobenzenesulfonamide Traditional Name: 4-fluoro-N-[2-[(4-methylbenzyl)thio]ethyl]-3-nitro-benzenesulfonamide Formula: C16H17FN2O4S2 MolecularWeight: 384.445583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNS(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNS(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C16H17FN2O4S2/c1-12-2-4-13(5-3-12)11-24-9-8-18-25(22,23)14-6-7-15(17)16(10-14)19(20)21/h2-7,10,18H,8-9,11H2,1H3