2,6-dinitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)aniline

Systemtic Name: 2,6-dinitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)aniline Openeye Name: 2,6-dinitro-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]-4-(trifluoromethyl)aniline CAS Name: 2,6-dinitro-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-4-(trifluoromethyl)aniline IUPAC Name: 2,6-dinitro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)aniline Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-(4-piperidinosulfonylbenzyl)amine Formula: C19H19F3N4O6S MolecularWeight: 488.43757

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H19F3N4O6S/c20-19(21,22)14-10-16(25(27)28)18(17(11-14)26(29)30)23-12-13-4-6-15(7-5-13)33(31,32)24-8-2-1-3-9-24/h4-7,10-11,23H,1-3,8-9,12H2