2-nitro-4-pyrrolidin-1-ylsulfonyl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline

Systemtic Name: 2-nitro-4-pyrrolidin-1-ylsulfonyl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline Openeye Name: 2-nitro-4-pyrrolidin-1-ylsulfonyl-N-[(E)-[4-(trifluoromethyl)phenyl]methyleneamino]aniline CAS Name: 2-nitro-4-(1-pyrrolidinylsulfonyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline IUPAC Name: 2-nitro-4-pyrrolidin-1-ylsulfonyl-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]aniline Traditional Name: (2-nitro-4-pyrrolidinosulfonyl-phenyl)-[(E)-[4-(trifluoromethyl)benzylidene]amino]amine Formula: C18H17F3N4O4S MolecularWeight: 442.41219

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NN=CC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H17F3N4O4S/c19-18(20,21)14-5-3-13(4-6-14)12-22-23-16-8-7-15(11-17(16)25(26)27)30(28,29)24-9-1-2-10-24/h3-8,11-12,23H,1-2,9-10H2/b22-12+