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

Systemtic Name: 2-fluoranyl-6-[2-[(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethylamino]benzenecarbonitrile Openeye Name: 2-fluoro-6-[2-(4-nitro-2-pyrrolidin-1-ylsulfonyl-anilino)ethylamino]benzonitrile CAS Name: 2-fluoro-6-[2-[4-nitro-2-(1-pyrrolidinylsulfonyl)anilino]ethylamino]benzonitrile IUPAC Name: 2-fluoro-6-[2-(4-nitro-2-pyrrolidin-1-ylsulfonylanilino)ethylamino]benzonitrile Traditional Name: 2-fluoro-6-[2-(4-nitro-2-pyrrolidinosulfonyl-anilino)ethylamino]benzonitrile Formula: C19H20FN5O4S MolecularWeight: 433.456603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCNC3=C(C(=CC=C3)F)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCNC3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C19H20FN5O4S/c20-16-4-3-5-17(15(16)13-21)22-8-9-23-18-7-6-14(25(26)27)12-19(18)30(28,29)24-10-1-2-11-24/h3-7,12,22-23H,1-2,8-11H2