(2-aminophenyl) 3-[2-[2-[bis(azanyl)methylideneamino]phenyl]sulfonyl-3,4,5-tris(fluoranyl)phenyl]propanoate

Systemtic Name: (2-aminophenyl) 3-[2-[2-[bis(azanyl)methylideneamino]phenyl]sulfonyl-3,4,5-tris(fluoranyl)phenyl]propanoate Openeye Name: (2-aminophenyl) 3-[3,4,5-trifluoro-2-(2-guanidinophenyl)sulfonyl-phenyl]propanoate CAS Name: 3-[2-[2-(diaminomethylideneamino)phenyl]sulfonyl-3,4,5-trifluorophenyl]propanoic acid (2-aminophenyl) ester IUPAC Name: (2-aminophenyl) 3-[2-[2-(diaminomethylideneamino)phenyl]sulfonyl-3,4,5-trifluorophenyl]propanoate Traditional Name: 3-[3,4,5-trifluoro-2-(2-guanidinophenyl)sulfonyl-phenyl]propionic acid (2-aminophenyl) ester Formula: C22H19F3N4O4S MolecularWeight: 492.47087

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)OC(=O)CCC2=CC(=C(C(=C2S(=O)(=O)C3=CC=CC=C3N=C(N)N)F)F)F

Isomeric SMILES

C1=CC=C(C(=C1)N)OC(=O)CCC2=CC(=C(C(=C2S(=O)(=O)C3=CC=CC=C3N=C(N)N)F)F)F

InChI

InChI=1S/C22H19F3N4O4S/c23-13-11-12(9-10-18(30)33-16-7-3-1-5-14(16)26)21(20(25)19(13)24)34(31,32)17-8-4-2-6-15(17)29-22(27)28/h1-8,11H,9-10,26H2,(H4,27,28,29)