4-butylaniline; 1,1,1-tris(fluoranyl)-N-(trifluoromethylsulfonyl)methanesulfonamide

Systemtic Name: 4-butylaniline; 1,1,1-tris(fluoranyl)-N-(trifluoromethylsulfonyl)methanesulfonamide Openeye Name: 4-butylaniline; 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide CAS Name: 4-butylaniline; 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide IUPAC Name: 4-butylaniline; 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide Traditional Name: (4-butylphenyl)amine; 1,1,1-trifluoro-N-triflyl-methanesulfonamide Formula: C12H16F6N2O4S2 MolecularWeight: 430.386859

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N.C(F)(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)N.C(F)(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C10H15N.C2HF6NO4S2/c1-2-3-4-9-5-7-10(11)8-6-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-8H,2-4,11H2,1H3;9H