3-[[7-(5-azanylpentoxy)-4-oxidanylidene-quinolizin-3-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[[7-(5-azanylpentoxy)-4-oxidanylidene-quinolizin-3-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 3-[[7-(5-aminopentoxy)-4-oxo-quinolizine-3-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid CAS Name: 3-[[[7-(5-aminopentoxy)-4-oxo-3-quinolizinyl]-oxomethyl]amino]-2-(benzenesulfonamido)propanoic acid IUPAC Name: 3-[[7-(5-aminopentoxy)-4-oxoquinolizine-3-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid Traditional Name: 3-[[7-(5-aminopentoxy)-4-keto-quinolizine-3-carbonyl]amino]-2-(benzenesulfonamido)propionic acid Formula: C24H28N4O7S MolecularWeight: 516.56672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC=C3C=CC(=CN3C2=O)OCCCCCN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC=C3C=CC(=CN3C2=O)OCCCCCN)C(=O)O

InChI

InChI=1S/C24H28N4O7S/c25-13-5-2-6-14-35-18-11-9-17-10-12-20(23(30)28(17)16-18)22(29)26-15-21(24(31)32)27-36(33,34)19-7-3-1-4-8-19/h1,3-4,7-12,16,21,27H,2,5-6,13-15,25H2,(H,26,29)(H,31,32)