2-(butylsulfonylamino)-2-phenyl-3-[3-(pyridin-2-ylamino)butoxy]propanoic acid

Systemtic Name: 2-(butylsulfonylamino)-2-phenyl-3-[3-(pyridin-2-ylamino)butoxy]propanoic acid Openeye Name: 2-(butylsulfonylamino)-2-phenyl-3-[3-(2-pyridylamino)butoxy]propanoic acid CAS Name: 2-(butylsulfonylamino)-2-phenyl-3-[3-(2-pyridinylamino)butoxy]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-2-phenyl-3-[3-(pyridin-2-ylamino)butoxy]propanoic acid Traditional Name: 2-(butylsulfonylamino)-2-phenyl-3-[3-(2-pyridylamino)butoxy]propionic acid Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(COCCC(C)NC1=CC=CC=N1)(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(COCCC(C)NC1=CC=CC=N1)(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H31N3O5S/c1-3-4-16-31(28,29)25-22(21(26)27,19-10-6-5-7-11-19)17-30-15-13-18(2)24-20-12-8-9-14-23-20/h5-12,14,18,25H,3-4,13,15-17H2,1-2H3,(H,23,24)(H,26,27)