N-[(E)-2-(4-tert-butylphenyl)sulfonyl-2-nitro-ethenyl]-3,5-bis(trifluoromethyl)aniline

Systemtic Name: N-[(E)-2-(4-tert-butylphenyl)sulfonyl-2-nitro-ethenyl]-3,5-bis(trifluoromethyl)aniline Openeye Name: N-[(E)-2-(4-tert-butylphenyl)sulfonyl-2-nitro-vinyl]-3,5-bis(trifluoromethyl)aniline CAS Name: N-[(E)-2-(4-tert-butylphenyl)sulfonyl-2-nitroethenyl]-3,5-bis(trifluoromethyl)aniline IUPAC Name: N-[(E)-2-(4-tert-butylphenyl)sulfonyl-2-nitroethenyl]-3,5-bis(trifluoromethyl)aniline Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-[(E)-2-(4-tert-butylphenyl)sulfonyl-2-nitro-vinyl]amine Formula: C20H18F6N2O4S MolecularWeight: 496.423339

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)/C(=C/NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)/[N+](=O)[O-]

InChI

InChI=1S/C20H18F6N2O4S/c1-18(2,3)12-4-6-16(7-5-12)33(31,32)17(28(29)30)11-27-15-9-13(19(21,22)23)8-14(10-15)20(24,25)26/h4-11,27H,1-3H3/b17-11+