2-[[(3-fluorophenyl)methylsulfanyl-phenyl-methyl]amino]-2-phenyl-ethanamide; methanesulfonate

Systemtic Name: 2-[[(3-fluorophenyl)methylsulfanyl-phenyl-methyl]amino]-2-phenyl-ethanamide; methanesulfonate Openeye Name: 2-[[(3-fluorophenyl)methylsulfanyl-phenyl-methyl]amino]-2-phenyl-acetamide; methanesulfonate CAS Name: 2-[[[(3-fluorophenyl)methylthio]-phenylmethyl]amino]-2-phenylacetamide; methanesulfonate IUPAC Name: 2-[[(3-fluorophenyl)methylsulfanyl-phenylmethyl]amino]-2-phenylacetamide; methanesulfonate Traditional Name: 2-[[[(3-fluorobenzyl)thio]-phenyl-methyl]amino]-2-phenyl-acetamide mesylate Formula: C23H24FN2O4S2- MolecularWeight: 475.576063

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C(C=C1)C(C(=O)N)NC(C2=CC=CC=C2)SCC3=CC(=CC=C3)F

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C(C=C1)C(C(=O)N)NC(C2=CC=CC=C2)SCC3=CC(=CC=C3)F

InChI

InChI=1S/C22H21FN2OS.CH4O3S/c23-19-13-7-8-16(14-19)15-27-22(18-11-5-2-6-12-18)25-20(21(24)26)17-9-3-1-4-10-17;1-5(2,3)4/h1-14,20,22,25H,15H2,(H2,24,26);1H3,(H,2,3,4)/p-1