3-[[5-(trifluoromethylsulfonylamino)-1H-indol-2-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[5-(trifluoromethylsulfonylamino)-1H-indol-2-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-(trifluoromethylsulfonylamino)-1H-indole-2-carbonyl]amino]benzoic acid CAS Name: 3-[[oxo-[5-(trifluoromethylsulfonylamino)-1H-indol-2-yl]methyl]amino]benzoic acid IUPAC Name: 3-[[5-(trifluoromethylsulfonylamino)-1H-indole-2-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-(triflylamino)-1H-indole-2-carbonyl]amino]benzoic acid Formula: C17H12F3N3O5S MolecularWeight: 427.35449

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)NS(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)NS(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H12F3N3O5S/c18-17(19,20)29(27,28)23-12-4-5-13-10(7-12)8-14(22-13)15(24)21-11-3-1-2-9(6-11)16(25)26/h1-8,22-23H,(H,21,24)(H,25,26)