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

Systemtic Name: 3-[4-oxidanylidene-2-[3-(pyridin-2-ylamino)propyl]chromen-6-yl]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[4-oxo-2-[3-(2-pyridylamino)propyl]chromen-6-yl]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[4-oxo-2-[3-(2-pyridinylamino)propyl]-1-benzopyran-6-yl]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[4-oxo-2-[3-(pyridin-2-ylamino)propyl]chromen-6-yl]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[4-keto-2-[3-(2-pyridylamino)propyl]chromen-6-yl]propionic acid Formula: C26H25N3O6S MolecularWeight: 507.5582

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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=CC=CC=N4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC3=C(C=C2)OC(=CC3=O)CCCNC4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C26H25N3O6S/c30-23-17-19(7-6-14-28-25-10-4-5-13-27-25)35-24-12-11-18(15-21(23)24)16-22(26(31)32)29-36(33,34)20-8-2-1-3-9-20/h1-5,8-13,15,17,22,29H,6-7,14,16H2,(H,27,28)(H,31,32)