4-[[4-azanyl-3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonic acid; methane

Systemtic Name: 4-[[4-azanyl-3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonic acid; methane Openeye Name: 4-[[4-amino-3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonic acid; methane CAS Name: 4-[[4-amino-3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonic acid; methane IUPAC Name: 4-[[4-amino-3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonic acid; methane Traditional Name: 4-[[4-amino-3-(trifluoromethyl)phenyl]sulfonylamino]besylic acid; methane Formula: C14H15F3N2O5S2 MolecularWeight: 412.40451

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Descriptors Computed from Structure

Canonical SMILES:

C.C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)N)C(F)(F)F)S(=O)(=O)O

Isomeric SMILES

C.C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)N)C(F)(F)F)S(=O)(=O)O

InChI

InChI=1S/C13H11F3N2O5S2.CH4/c14-13(15,16)11-7-10(5-6-12(11)17)24(19,20)18-8-1-3-9(4-2-8)25(21,22)23;/h1-7,18H,17H2,(H,21,22,23);1H4