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

Systemtic Name: (2-aminophenyl) 3-[2-[2-[bis(azanyl)methylideneamino]phenyl]sulfonyl-3,5-bis(chloranyl)phenyl]propanoate Openeye Name: (2-aminophenyl) 3-[3,5-dichloro-2-(2-guanidinophenyl)sulfonyl-phenyl]propanoate CAS Name: 3-[3,5-dichloro-2-[2-(diaminomethylideneamino)phenyl]sulfonylphenyl]propanoic acid (2-aminophenyl) ester IUPAC Name: (2-aminophenyl) 3-[3,5-dichloro-2-[2-(diaminomethylideneamino)phenyl]sulfonylphenyl]propanoate Traditional Name: 3-[3,5-dichloro-2-(2-guanidinophenyl)sulfonyl-phenyl]propionic acid (2-aminophenyl) ester Formula: C22H20Cl2N4O4S MolecularWeight: 507.3896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20Cl2N4O4S/c23-14-11-13(9-10-20(29)32-18-7-3-1-5-16(18)25)21(15(24)12-14)33(30,31)19-8-4-2-6-17(19)28-22(26)27/h1-8,11-12H,9-10,25H2,(H4,26,27,28)