4-[[5-(1-azanyl-2-phenyl-ethyl)-3-(phenylmethyl)-5H-1,2-oxazol-2-yl]methyl]benzenesulfonate

Systemtic Name: 4-[[5-(1-azanyl-2-phenyl-ethyl)-3-(phenylmethyl)-5H-1,2-oxazol-2-yl]methyl]benzenesulfonate Openeye Name: 4-[[5-(1-amino-2-phenyl-ethyl)-3-benzyl-5H-isoxazol-2-yl]methyl]benzenesulfonate CAS Name: 4-[[5-(1-amino-2-phenylethyl)-3-(phenylmethyl)-5H-isoxazol-2-yl]methyl]benzenesulfonate IUPAC Name: 4-[[5-(1-amino-2-phenylethyl)-3-benzyl-5H-1,2-oxazol-2-yl]methyl]benzenesulfonate Traditional Name: 4-[[5-(1-amino-2-phenyl-ethyl)-3-benzyl-3-isoxazolin-2-yl]methyl]besylate Formula: C25H25N2O4S- MolecularWeight: 449.542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(ON2CC3=CC=C(C=C3)S(=O)(=O)[O-])C(CC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(ON2CC3=CC=C(C=C3)S(=O)(=O)[O-])C(CC4=CC=CC=C4)N

InChI

InChI=1S/C25H26N2O4S/c26-24(16-20-9-5-2-6-10-20)25-17-22(15-19-7-3-1-4-8-19)27(31-25)18-21-11-13-23(14-12-21)32(28,29)30/h1-14,17,24-25H,15-16,18,26H2,(H,28,29,30)/p-1