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

Systemtic Name: 3-[[7-(3-azanylpropoxy)-4-oxidanylidene-quinolizin-3-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 3-[[7-(3-aminopropoxy)-4-oxo-quinolizine-3-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid CAS Name: 3-[[[7-(3-aminopropoxy)-4-oxo-3-quinolizinyl]-oxomethyl]amino]-2-(benzenesulfonamido)propanoic acid IUPAC Name: 3-[[7-(3-aminopropoxy)-4-oxoquinolizine-3-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid Traditional Name: 3-[[7-(3-aminopropoxy)-4-keto-quinolizine-3-carbonyl]amino]-2-(benzenesulfonamido)propionic acid Formula: C22H24N4O7S MolecularWeight: 488.51356

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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)OCCCN)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O7S/c23-11-4-12-33-16-9-7-15-8-10-18(21(28)26(15)14-16)20(27)24-13-19(22(29)30)25-34(31,32)17-5-2-1-3-6-17/h1-3,5-10,14,19,25H,4,11-13,23H2,(H,24,27)(H,29,30)