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

Systemtic Name: 3-[2-[3-(1H-benzimidazol-2-ylamino)propyl]-4-oxidanylidene-chromen-6-yl]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[2-[3-(1H-benzimidazol-2-ylamino)propyl]-4-oxo-chromen-6-yl]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[2-[3-(1H-benzimidazol-2-ylamino)propyl]-4-oxo-1-benzopyran-6-yl]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[2-[3-(1H-benzimidazol-2-ylamino)propyl]-4-oxochromen-6-yl]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[2-[3-(1H-benzimidazol-2-ylamino)propyl]-4-keto-chromen-6-yl]propionic acid Formula: C28H26N4O6S MolecularWeight: 546.59424

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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=NC5=CC=CC=C5N4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC3=C(C=C2)OC(=CC3=O)CCCNC4=NC5=CC=CC=C5N4)C(=O)O

InChI

InChI=1S/C28H26N4O6S/c33-25-17-19(7-6-14-29-28-30-22-10-4-5-11-23(22)31-28)38-26-13-12-18(15-21(25)26)16-24(27(34)35)32-39(36,37)20-8-2-1-3-9-20/h1-5,8-13,15,17,24,32H,6-7,14,16H2,(H,34,35)(H2,29,30,31)