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

Systemtic Name: 3-[[7-(4-azanylbutoxy)-4-oxidanylidene-quinolizin-2-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 3-[[7-(4-aminobutoxy)-4-oxo-quinolizine-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid CAS Name: 3-[[[7-(4-aminobutoxy)-4-oxo-2-quinolizinyl]-oxomethyl]amino]-2-(benzenesulfonamido)propanoic acid IUPAC Name: 3-[[7-(4-aminobutoxy)-4-oxoquinolizine-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid Traditional Name: 3-[[7-(4-aminobutoxy)-4-keto-quinolizine-2-carbonyl]amino]-2-(benzenesulfonamido)propionic acid Formula: C23H26N4O7S MolecularWeight: 502.54014

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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)OCCCCN)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O7S/c24-10-4-5-11-34-18-9-8-17-12-16(13-21(28)27(17)15-18)22(29)25-14-20(23(30)31)26-35(32,33)19-6-2-1-3-7-19/h1-3,6-9,12-13,15,20,26H,4-5,10-11,14,24H2,(H,25,29)(H,30,31)