4-morpholin-4-ylsulfonyl-2-nitro-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline

Systemtic Name: 4-morpholin-4-ylsulfonyl-2-nitro-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline Openeye Name: 4-morpholinosulfonyl-2-nitro-N-[(E)-[2-(trifluoromethyl)phenyl]methyleneamino]aniline CAS Name: 4-(4-morpholinylsulfonyl)-2-nitro-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline IUPAC Name: 4-morpholin-4-ylsulfonyl-2-nitro-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline Traditional Name: (4-morpholinosulfonyl-2-nitro-phenyl)-[(E)-[2-(trifluoromethyl)benzylidene]amino]amine Formula: C18H17F3N4O5S MolecularWeight: 458.41159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)N/N=C/C3=CC=CC=C3C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H17F3N4O5S/c19-18(20,21)15-4-2-1-3-13(15)12-22-23-16-6-5-14(11-17(16)25(26)27)31(28,29)24-7-9-30-10-8-24/h1-6,11-12,23H,7-10H2/b22-12+