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

Systemtic Name: 3-[[7-(2-azanylethoxy)-4-oxidanylidene-quinolizin-2-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 3-[[7-(2-aminoethoxy)-4-oxo-quinolizine-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid CAS Name: 3-[[[7-(2-aminoethoxy)-4-oxo-2-quinolizinyl]-oxomethyl]amino]-2-(benzenesulfonamido)propanoic acid IUPAC Name: 3-[[7-(2-aminoethoxy)-4-oxoquinolizine-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid Traditional Name: 3-[[7-(2-aminoethoxy)-4-keto-quinolizine-2-carbonyl]amino]-2-(benzenesulfonamido)propionic acid Formula: C21H22N4O7S MolecularWeight: 474.48698

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=C(C=CC3=C2)OCCN)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O7S/c22-8-9-32-16-7-6-15-10-14(11-19(26)25(15)13-16)20(27)23-12-18(21(28)29)24-33(30,31)17-4-2-1-3-5-17/h1-7,10-11,13,18,24H,8-9,12,22H2,(H,23,27)(H,28,29)