2-fluoranyl-6-[2-[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]ethylamino]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[2-[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]ethylamino]benzenecarbonitrile Openeye Name: 2-fluoro-6-[2-[2-nitro-4-(1-piperidylsulfonyl)anilino]ethylamino]benzonitrile CAS Name: 2-fluoro-6-[2-[2-nitro-4-(1-piperidinylsulfonyl)anilino]ethylamino]benzonitrile IUPAC Name: 2-fluoro-6-[2-(2-nitro-4-piperidin-1-ylsulfonylanilino)ethylamino]benzonitrile Traditional Name: 2-fluoro-6-[2-(2-nitro-4-piperidinosulfonyl-anilino)ethylamino]benzonitrile Formula: C20H22FN5O4S MolecularWeight: 447.483183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCNC3=C(C(=CC=C3)F)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCNC3=C(C(=CC=C3)F)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H22FN5O4S/c21-17-5-4-6-18(16(17)14-22)23-9-10-24-19-8-7-15(13-20(19)26(27)28)31(29,30)25-11-2-1-3-12-25/h4-8,13,23-24H,1-3,9-12H2