benzenesulfonic acid; N'-[3-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide

Systemtic Name: benzenesulfonic acid; N'-[3-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide Openeye Name: benzenesulfonic acid; N'-[3-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazol-5-yl]morpholine-4-carboxamidine CAS Name: benzenesulfonic acid; N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-5-isoxazolyl]-4-morpholinecarboximidamide IUPAC Name: benzenesulfonic acid; N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide Traditional Name: besylic acid; N'-[3-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazol-5-yl]morpholine-4-carboxamidine Formula: C28H29FN4O5S MolecularWeight: 552.617063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=NOC(=C3)N=C(N)N4CCOCC4.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=NOC(=C3)/N=C(\N)/N4CCOCC4.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C22H23FN4O2.C6H6O3S/c1-15(17-7-8-18(19(23)13-17)16-5-3-2-4-6-16)20-14-21(29-26-20)25-22(24)27-9-11-28-12-10-27;7-10(8,9)6-4-2-1-3-5-6/h2-8,13-15H,9-12H2,1H3,(H2,24,25);1-5H,(H,7,8,9)