2-(butylsulfonylamino)-3-[3-[3-(1H-imidazol-2-ylamino)propyl]-4-oxidanylidene-chromen-6-yl]propanoic acid

Systemtic Name: 2-(butylsulfonylamino)-3-[3-[3-(1H-imidazol-2-ylamino)propyl]-4-oxidanylidene-chromen-6-yl]propanoic acid Openeye Name: 2-(butylsulfonylamino)-3-[3-[3-(1H-imidazol-2-ylamino)propyl]-4-oxo-chromen-6-yl]propanoic acid CAS Name: 2-(butylsulfonylamino)-3-[3-[3-(1H-imidazol-2-ylamino)propyl]-4-oxo-1-benzopyran-6-yl]propanoic acid IUPAC Name: 2-(butylsulfonylamino)-3-[3-[3-(1H-imidazol-2-ylamino)propyl]-4-oxochromen-6-yl]propanoic acid Traditional Name: 2-(butylsulfonylamino)-3-[3-[3-(1H-imidazol-2-ylamino)propyl]-4-keto-chromen-6-yl]propionic acid Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC2=C(C=C1)OC=C(C2=O)CCCNC3=NC=CN3)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CC2=C(C=C1)OC=C(C2=O)CCCNC3=NC=CN3)C(=O)O

InChI

InChI=1S/C22H28N4O6S/c1-2-3-11-33(30,31)26-18(21(28)29)13-15-6-7-19-17(12-15)20(27)16(14-32-19)5-4-8-23-22-24-9-10-25-22/h6-7,9-10,12,14,18,26H,2-5,8,11,13H2,1H3,(H,28,29)(H2,23,24,25)