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

Systemtic Name: 3-[[7-(aminomethyl)-4-oxidanylidene-quinolizin-3-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 3-[[7-(aminomethyl)-4-oxo-quinolizine-3-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid CAS Name: 3-[[[7-(aminomethyl)-4-oxo-3-quinolizinyl]-oxomethyl]amino]-2-(benzenesulfonamido)propanoic acid IUPAC Name: 3-[[7-(aminomethyl)-4-oxoquinolizine-3-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid Traditional Name: 3-[[7-(aminomethyl)-4-keto-quinolizine-3-carbonyl]amino]-2-(benzenesulfonamido)propionic acid Formula: C20H20N4O6S MolecularWeight: 444.461

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=C3C=CC(=CN3C2=O)CN)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O6S/c21-10-13-6-7-14-8-9-16(19(26)24(14)12-13)18(25)22-11-17(20(27)28)23-31(29,30)15-4-2-1-3-5-15/h1-9,12,17,23H,10-11,21H2,(H,22,25)(H,27,28)