4-methyl-2-[methyl-[3-(trifluoromethyl)phenyl]carbonyl-amino]benzenesulfonate

Systemtic Name: 4-methyl-2-[methyl-[3-(trifluoromethyl)phenyl]carbonyl-amino]benzenesulfonate Openeye Name: 4-methyl-2-[methyl-[3-(trifluoromethyl)benzoyl]amino]benzenesulfonate CAS Name: 4-methyl-2-[methyl-[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]benzenesulfonate IUPAC Name: 4-methyl-2-[methyl-[3-(trifluoromethyl)benzoyl]amino]benzenesulfonate Traditional Name: 4-methyl-2-[methyl-[3-(trifluoromethyl)benzoyl]amino]besylate Formula: C16H13F3NO4S- MolecularWeight: 372.33893

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])N(C)C(=O)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])N(C)C(=O)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H14F3NO4S/c1-10-6-7-14(25(22,23)24)13(8-10)20(2)15(21)11-4-3-5-12(9-11)16(17,18)19/h3-9H,1-2H3,(H,22,23,24)/p-1