N-[(E)-(3-fluorophenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitro-aniline

Systemtic Name: N-[(E)-(3-fluorophenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: N-[(E)-(3-fluorophenyl)methyleneamino]-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-[(E)-(3-fluorophenyl)methylideneamino]-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-[(E)-(3-fluorophenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: [(E)-(3-fluorobenzylidene)amino]-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C17H17FN4O5S MolecularWeight: 408.404083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN4O5S/c18-14-3-1-2-13(10-14)12-19-20-16-5-4-15(22(23)24)11-17(16)28(25,26)21-6-8-27-9-7-21/h1-5,10-12,20H,6-9H2/b19-12+