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

Systemtic Name: 3-[2-[2-methyl-5-(trifluoromethylsulfonylamino)indol-1-yl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[2-methyl-5-(trifluoromethylsulfonylamino)indol-1-yl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[2-methyl-5-(trifluoromethylsulfonylamino)-1-indolyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[2-methyl-5-(trifluoromethylsulfonylamino)indol-1-yl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[2-methyl-5-(triflylamino)indol-1-yl]acetyl]amino]benzoic acid Formula: C19H16F3N3O5S MolecularWeight: 455.40765

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1CC(=O)NC3=CC=CC(=C3)C(=O)O)C=CC(=C2)NS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(N1CC(=O)NC3=CC=CC(=C3)C(=O)O)C=CC(=C2)NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C19H16F3N3O5S/c1-11-7-13-9-15(24-31(29,30)19(20,21)22)5-6-16(13)25(11)10-17(26)23-14-4-2-3-12(8-14)18(27)28/h2-9,24H,10H2,1H3,(H,23,26)(H,27,28)