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

Systemtic Name: 3-[2-[3-(1H-benzimidazol-2-ylamino)propyl]-4-oxidanylidene-chromen-6-yl]-2-(butylsulfonylamino)propanoic acid Openeye Name: 3-[2-[3-(1H-benzimidazol-2-ylamino)propyl]-4-oxo-chromen-6-yl]-2-(butylsulfonylamino)propanoic acid CAS Name: 3-[2-[3-(1H-benzimidazol-2-ylamino)propyl]-4-oxo-1-benzopyran-6-yl]-2-(butylsulfonylamino)propanoic acid IUPAC Name: 3-[2-[3-(1H-benzimidazol-2-ylamino)propyl]-4-oxochromen-6-yl]-2-(butylsulfonylamino)propanoic acid Traditional Name: 3-[2-[3-(1H-benzimidazol-2-ylamino)propyl]-4-keto-chromen-6-yl]-2-(butylsulfonylamino)propionic acid Formula: C26H30N4O6S MolecularWeight: 526.6046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC1=CC2=C(C=C1)OC(=CC2=O)CCCNC3=NC4=CC=CC=C4N3)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CC1=CC2=C(C=C1)OC(=CC2=O)CCCNC3=NC4=CC=CC=C4N3)C(=O)O

InChI

InChI=1S/C26H30N4O6S/c1-2-3-13-37(34,35)30-22(25(32)33)15-17-10-11-24-19(14-17)23(31)16-18(36-24)7-6-12-27-26-28-20-8-4-5-9-21(20)29-26/h4-5,8-11,14,16,22,30H,2-3,6-7,12-13,15H2,1H3,(H,32,33)(H2,27,28,29)