3-methyl-4-(sulfonylamino)benzenesulfonic acid; 2-(trifluoromethyl)aniline

Systemtic Name: 3-methyl-4-(sulfonylamino)benzenesulfonic acid; 2-(trifluoromethyl)aniline Openeye Name: 3-methyl-4-(sulfonylamino)benzenesulfonic acid; 2-(trifluoromethyl)aniline CAS Name: 3-methyl-4-(sulfonylamino)benzenesulfonic acid; 2-(trifluoromethyl)aniline IUPAC Name: 3-methyl-4-(sulfonylamino)benzenesulfonic acid; 2-(trifluoromethyl)aniline Traditional Name: 3-methyl-4-(sulfonylamino)besylic acid; [2-(trifluoromethyl)phenyl]amine Formula: C14H13F3N2O5S2 MolecularWeight: 410.38863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)O)N=S(=O)=O.C1=CC=C(C(=C1)C(F)(F)F)N

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)O)N=S(=O)=O.C1=CC=C(C(=C1)C(F)(F)F)N

InChI

InChI=1S/C7H6F3N.C7H7NO5S2/c8-7(9,10)5-3-1-2-4-6(5)11;1-5-4-6(15(11,12)13)2-3-7(5)8-14(9)10/h1-4H,11H2;2-4H,1H3,(H,11,12,13)