2,6-dinitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)-4-(trifluoromethyl)aniline

Systemtic Name: 2,6-dinitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)-4-(trifluoromethyl)aniline Openeye Name: 2,6-dinitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)-4-(trifluoromethyl)aniline CAS Name: 2,6-dinitro-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-4-(trifluoromethyl)aniline IUPAC Name: 2,6-dinitro-N-(3-pyrrolidin-1-ylsulfonylphenyl)-4-(trifluoromethyl)aniline Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-(3-pyrrolidinosulfonylphenyl)amine Formula: C17H15F3N4O6S MolecularWeight: 460.38441

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H15F3N4O6S/c18-17(19,20)11-8-14(23(25)26)16(15(9-11)24(27)28)21-12-4-3-5-13(10-12)31(29,30)22-6-1-2-7-22/h3-5,8-10,21H,1-2,6-7H2