4-[2-[(2-cyano-3-fluoranyl-phenyl)amino]ethylamino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-[(2-cyano-3-fluoranyl-phenyl)amino]ethylamino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(2-cyano-3-fluoro-anilino)ethylamino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[2-(2-cyano-3-fluoroanilino)ethylamino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(2-cyano-3-fluoroanilino)ethylamino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(2-cyano-3-fluoro-anilino)ethylamino]-N-methyl-3-nitro-benzenesulfonamide Formula: C16H16FN5O4S MolecularWeight: 393.392743

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NCCNC2=C(C(=CC=C2)F)C#N)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NCCNC2=C(C(=CC=C2)F)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H16FN5O4S/c1-19-27(25,26)11-5-6-15(16(9-11)22(23)24)21-8-7-20-14-4-2-3-13(17)12(14)10-18/h2-6,9,19-21H,7-8H2,1H3