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

Systemtic Name: 3-[[8-(3-azanylpropoxy)-4-oxidanylidene-quinolizin-2-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 3-[[8-(3-aminopropoxy)-4-oxo-quinolizine-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid CAS Name: 3-[[[8-(3-aminopropoxy)-4-oxo-2-quinolizinyl]-oxomethyl]amino]-2-(benzenesulfonamido)propanoic acid IUPAC Name: 3-[[8-(3-aminopropoxy)-4-oxoquinolizine-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid Traditional Name: 3-[[8-(3-aminopropoxy)-4-keto-quinolizine-2-carbonyl]amino]-2-(benzenesulfonamido)propionic acid Formula: C22H24N4O7S MolecularWeight: 488.51356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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