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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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