[azanyl-[3-[5-(ethoxymethyl)-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]-4H-1,2-oxazol-3-yl]phenyl]methylidene]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [azanyl-[3-[5-(ethoxymethyl)-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]-4H-1,2-oxazol-3-yl]phenyl]methylidene]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [amino-[3-[5-(ethoxymethyl)-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]-4H-isoxazol-3-yl]phenyl]methylene]ammonium; 2,2,2-trifluoroacetate CAS Name: [amino-[3-[5-(ethoxymethyl)-5-[oxo-[4-(2-sulfamoylphenyl)anilino]methyl]-4H-isoxazol-3-yl]phenyl]methylidene]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [amino-[3-[5-(ethoxymethyl)-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]-4H-1,2-oxazol-3-yl]phenyl]methylidene]azanium; 2,2,2-trifluoroacetate Traditional Name: [amino-[3-[5-(ethoxymethyl)-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]-2-isoxazolin-3-yl]phenyl]methylene]ammonium; 2,2,2-trifluoroacetate Formula: C28H28F3N5O7S MolecularWeight: 635.61143

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1(CC(=NO1)C2=CC(=CC=C2)C(=[NH2+])N)C(=O)NC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCOCC1(CC(=NO1)C2=CC(=CC=C2)C(=[NH2+])N)C(=O)NC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C26H27N5O5S.C2HF3O2/c1-2-35-16-26(15-22(31-36-26)18-6-5-7-19(14-18)24(27)28)25(32)30-20-12-10-17(11-13-20)21-8-3-4-9-23(21)37(29,33)34;3-2(4,5)1(6)7/h3-14H,2,15-16H2,1H3,(H3,27,28)(H,30,32)(H2,29,33,34);(H,6,7)