2-azanyl-N-[1,1,1-tris(fluoranyl)-2,3-diphenyl-propan-2-yl]propanamide; 4-methylbenzenesulfonate

Systemtic Name: 2-azanyl-N-[1,1,1-tris(fluoranyl)-2,3-diphenyl-propan-2-yl]propanamide; 4-methylbenzenesulfonate Openeye Name: 2-amino-N-(1-benzyl-2,2,2-trifluoro-1-phenyl-ethyl)propanamide; 4-methylbenzenesulfonate CAS Name: 2-amino-N-(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)propanamide; 4-methylbenzenesulfonate IUPAC Name: 2-amino-N-(1,1,1-trifluoro-2,3-diphenylpropan-2-yl)propanamide; 4-methylbenzenesulfonate Traditional Name: 2-amino-N-(1-benzyl-2,2,2-trifluoro-1-phenyl-ethyl)propionamide tosylate Formula: C25H26F3N2O4S- MolecularWeight: 507.54515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19F3N2O.C7H8O3S/c1-13(22)16(24)23-17(18(19,20)21,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;1-6-2-4-7(5-3-6)11(8,9)10/h2-11,13H,12,22H2,1H3,(H,23,24);2-5H,1H3,(H,8,9,10)/p-1