N-[(E)-(5-bromanyl-2-fluoranyl-phenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(E)-(5-bromanyl-2-fluoranyl-phenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(E)-(5-bromo-2-fluoro-phenyl)methyleneamino]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [(E)-(5-bromo-2-fluoro-benzylidene)amino]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C17H16BrFN4O5S MolecularWeight: 487.300143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NN=CC3=C(C=CC(=C3)Br)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)N/N=C/C3=C(C=CC(=C3)Br)F)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrFN4O5S/c18-13-1-3-15(19)12(9-13)11-20-21-16-4-2-14(10-17(16)23(24)25)29(26,27)22-5-7-28-8-6-22/h1-4,9-11,21H,5-8H2/b20-11+