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

Systemtic Name: 3-[[7-(3-azanylpropoxy)-4-oxidanylidene-quinolizin-3-yl]carbamoylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 3-[[7-(3-aminopropoxy)-4-oxo-quinolizin-3-yl]carbamoylamino]-2-(benzenesulfonamido)propanoic acid CAS Name: 3-[[[[7-(3-aminopropoxy)-4-oxo-3-quinolizinyl]amino]-oxomethyl]amino]-2-(benzenesulfonamido)propanoic acid IUPAC Name: 3-[[7-(3-aminopropoxy)-4-oxoquinolizin-3-yl]carbamoylamino]-2-(benzenesulfonamido)propanoic acid Traditional Name: 3-[[7-(3-aminopropoxy)-4-keto-quinolizin-3-yl]carbamoylamino]-2-(benzenesulfonamido)propionic acid Formula: C22H25N5O7S MolecularWeight: 503.5282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)NC2=CC=C3C=CC(=CN3C2=O)OCCCN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)NC2=CC=C3C=CC(=CN3C2=O)OCCCN)C(=O)O

InChI

InChI=1S/C22H25N5O7S/c23-11-4-12-34-16-9-7-15-8-10-18(20(28)27(15)14-16)25-22(31)24-13-19(21(29)30)26-35(32,33)17-5-2-1-3-6-17/h1-3,5-10,14,19,26H,4,11-13,23H2,(H,29,30)(H2,24,25,31)