4-[6-oxidanylidene-8-[[3-oxidanyl-3-oxidanylidene-2-(phenylsulfonylamino)propyl]carbamoyl]quinolizin-3-yl]oxybutylazanium

Systemtic Name: 4-[6-oxidanylidene-8-[[3-oxidanyl-3-oxidanylidene-2-(phenylsulfonylamino)propyl]carbamoyl]quinolizin-3-yl]oxybutylazanium Openeye Name: 4-[8-[[2-(benzenesulfonamido)-3-hydroxy-3-oxo-propyl]carbamoyl]-6-oxo-quinolizin-3-yl]oxybutylammonium CAS Name: 4-[[8-[[[2-(benzenesulfonamido)-3-hydroxy-3-oxopropyl]amino]-oxomethyl]-6-oxo-3-quinolizinyl]oxy]butylammonium IUPAC Name: 4-[8-[[2-(benzenesulfonamido)-3-hydroxy-3-oxopropyl]carbamoyl]-6-oxoquinolizin-3-yl]oxybutylazanium Traditional Name: 4-[8-[[2-(benzenesulfonamido)-3-hydroxy-3-keto-propyl]carbamoyl]-6-keto-quinolizin-3-yl]oxybutylammonium Formula: C23H27N4O7S+ MolecularWeight: 503.54808

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

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC(=O)N3C=C(C=CC3=C2)OCCCC[NH3+])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)/p+1