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

Systemtic Name: 3-[2-[3-(1H-imidazol-2-ylamino)propyl]-4-oxidanylidene-chromen-6-yl]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[2-[3-(1H-imidazol-2-ylamino)propyl]-4-oxo-chromen-6-yl]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[2-[3-(1H-imidazol-2-ylamino)propyl]-4-oxo-1-benzopyran-6-yl]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[2-[3-(1H-imidazol-2-ylamino)propyl]-4-oxochromen-6-yl]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[2-[3-(1H-imidazol-2-ylamino)propyl]-4-keto-chromen-6-yl]propionic acid Formula: C24H24N4O6S MolecularWeight: 496.53556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC3=C(C=C2)OC(=CC3=O)CCCNC4=NC=CN4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC3=C(C=C2)OC(=CC3=O)CCCNC4=NC=CN4)C(=O)O

InChI

InChI=1S/C24H24N4O6S/c29-21-15-17(5-4-10-25-24-26-11-12-27-24)34-22-9-8-16(13-19(21)22)14-20(23(30)31)28-35(32,33)18-6-2-1-3-7-18/h1-3,6-9,11-13,15,20,28H,4-5,10,14H2,(H,30,31)(H2,25,26,27)