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

Systemtic Name: 3-[[1-methyl-5-(trifluoromethylsulfonylamino)indol-2-yl]carbonylamino]benzoic acid Openeye Name: 3-[[1-methyl-5-(trifluoromethylsulfonylamino)indole-2-carbonyl]amino]benzoic acid CAS Name: 3-[[[1-methyl-5-(trifluoromethylsulfonylamino)-2-indolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-methyl-5-(trifluoromethylsulfonylamino)indole-2-carbonyl]amino]benzoic acid Traditional Name: 3-[[1-methyl-5-(triflylamino)indole-2-carbonyl]amino]benzoic acid Formula: C18H14F3N3O5S MolecularWeight: 441.38107

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NS(=O)(=O)C(F)(F)F)C=C1C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)NS(=O)(=O)C(F)(F)F)C=C1C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H14F3N3O5S/c1-24-14-6-5-13(23-30(28,29)18(19,20)21)8-11(14)9-15(24)16(25)22-12-4-2-3-10(7-12)17(26)27/h2-9,23H,1H3,(H,22,25)(H,26,27)