2-(butylsulfonylamino)-3-[3-[2-(diazanylmethylideneamino)phenyl]-2-methoxy-phenyl]propanoic acid

Systemtic Name: 2-(butylsulfonylamino)-3-[3-[2-(diazanylmethylideneamino)phenyl]-2-methoxy-phenyl]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[3-[2-(hydrazinomethyleneamino)phenyl]-2-methoxy-phenyl]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[3-[2-(hydrazinylmethylideneamino)phenyl]-2-methoxyphenyl]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[3-[2-(hydrazinylmethylideneamino)phenyl]-2-methoxyphenyl]propanoic acid Traditional Name: 2-(butylsulfonylamino)-3-[3-[2-(hydrazinomethyleneamino)phenyl]-2-methoxy-phenyl]propionic acid Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC=CC(=C1OC)C2=CC=CC=C2N=CNN)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CC=CC(=C1OC)C2=CC=CC=C2N=CNN)C(=O)O

InChI

InChI=1S/C21H28N4O5S/c1-3-4-12-31(28,29)25-19(21(26)27)13-15-8-7-10-17(20(15)30-2)16-9-5-6-11-18(16)23-14-24-22/h5-11,14,19,25H,3-4,12-13,22H2,1-2H3,(H,23,24)(H,26,27)