N-[3-(4-fluorophenyl)sulfanylpropyl]-2-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-2-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-2-methyl-3-nitro-benzenesulfonamide CAS Name: N-[3-[(4-fluorophenyl)thio]propyl]-2-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-2-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[3-[(4-fluorophenyl)thio]propyl]-2-methyl-3-nitro-benzenesulfonamide Formula: C16H17FN2O4S2 MolecularWeight: 384.445583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)NCCCSC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)NCCCSC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

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