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

Systemtic Name: 4-acetamido-3-methyl-2-[2-methyl-5-(trifluoromethylsulfonylamino)indol-1-yl]benzoic acid Openeye Name: 4-acetamido-3-methyl-2-[2-methyl-5-(trifluoromethylsulfonylamino)indol-1-yl]benzoic acid CAS Name: 4-acetamido-3-methyl-2-[2-methyl-5-(trifluoromethylsulfonylamino)-1-indolyl]benzoic acid IUPAC Name: 4-acetamido-3-methyl-2-[2-methyl-5-(trifluoromethylsulfonylamino)indol-1-yl]benzoic acid Traditional Name: 4-acetamido-3-methyl-2-[2-methyl-5-(triflylamino)indol-1-yl]benzoic acid Formula: C20H18F3N3O5S MolecularWeight: 469.43423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1C3=C(C=CC(=C3C)NC(=O)C)C(=O)O)C=CC(=C2)NS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(N1C3=C(C=CC(=C3C)NC(=O)C)C(=O)O)C=CC(=C2)NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O5S/c1-10-8-13-9-14(25-32(30,31)20(21,22)23)4-7-17(13)26(10)18-11(2)16(24-12(3)27)6-5-15(18)19(28)29/h4-9,25H,1-3H3,(H,24,27)(H,28,29)