5-[6-oxidanylidene-8-[[3-oxidanyl-3-oxidanylidene-2-(phenylsulfonylamino)propyl]carbamoyl]quinolizin-2-yl]oxypentylazanium

Systemtic Name: 5-[6-oxidanylidene-8-[[3-oxidanyl-3-oxidanylidene-2-(phenylsulfonylamino)propyl]carbamoyl]quinolizin-2-yl]oxypentylazanium Openeye Name: 5-[8-[[2-(benzenesulfonamido)-3-hydroxy-3-oxo-propyl]carbamoyl]-6-oxo-quinolizin-2-yl]oxypentylammonium CAS Name: 5-[[8-[[[2-(benzenesulfonamido)-3-hydroxy-3-oxopropyl]amino]-oxomethyl]-6-oxo-2-quinolizinyl]oxy]pentylammonium IUPAC Name: 5-[8-[[2-(benzenesulfonamido)-3-hydroxy-3-oxopropyl]carbamoyl]-6-oxoquinolizin-2-yl]oxypentylazanium Traditional Name: 5-[8-[[2-(benzenesulfonamido)-3-hydroxy-3-keto-propyl]carbamoyl]-6-keto-quinolizin-2-yl]oxypentylammonium Formula: C24H29N4O7S+ MolecularWeight: 517.57466

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)OCCCCC[NH3+])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC(=O)N3C=CC(=CC3=C2)OCCCCC[NH3+])C(=O)O

InChI

InChI=1S/C24H28N4O7S/c25-10-5-2-6-12-35-19-9-11-28-18(15-19)13-17(14-22(28)29)23(30)26-16-21(24(31)32)27-36(33,34)20-7-3-1-4-8-20/h1,3-4,7-9,11,13-15,21,27H,2,5-6,10,12,16,25H2,(H,26,30)(H,31,32)/p+1