3-[[8-(5-azanylpentoxy)-4-oxidanylidene-quinolizin-2-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[[8-(5-azanylpentoxy)-4-oxidanylidene-quinolizin-2-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 3-[[8-(5-aminopentoxy)-4-oxo-quinolizine-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid CAS Name: 3-[[[8-(5-aminopentoxy)-4-oxo-2-quinolizinyl]-oxomethyl]amino]-2-(benzenesulfonamido)propanoic acid IUPAC Name: 3-[[8-(5-aminopentoxy)-4-oxoquinolizine-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid Traditional Name: 3-[[8-(5-aminopentoxy)-4-keto-quinolizine-2-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(=O)N3C=CC(=CC3=C2)OCCCCCN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC(=O)N3C=CC(=CC3=C2)OCCCCCN)C(=O)O

InChI

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