3-[6-oxidanylidene-8-[2-(phenylsulfonylamino)propylcarbamoyl]quinolizin-3-yl]oxypropylazanium

Systemtic Name: 3-[6-oxidanylidene-8-[2-(phenylsulfonylamino)propylcarbamoyl]quinolizin-3-yl]oxypropylazanium Openeye Name: 3-[8-[2-(benzenesulfonamido)propylcarbamoyl]-6-oxo-quinolizin-3-yl]oxypropylammonium CAS Name: 3-[[8-[[2-(benzenesulfonamido)propylamino]-oxomethyl]-6-oxo-3-quinolizinyl]oxy]propylammonium IUPAC Name: 3-[8-[2-(benzenesulfonamido)propylcarbamoyl]-6-oxoquinolizin-3-yl]oxypropylazanium Traditional Name: 3-[8-[2-(benzenesulfonamido)propylcarbamoyl]-6-keto-quinolizin-3-yl]oxypropylammonium Formula: C22H27N4O5S+ MolecularWeight: 459.53858

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC(=O)N2C=C(C=CC2=C1)OCCC[NH3+])NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)C1=CC(=O)N2C=C(C=CC2=C1)OCCC[NH3+])NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O5S/c1-16(25-32(29,30)20-6-3-2-4-7-20)14-24-22(28)17-12-18-8-9-19(31-11-5-10-23)15-26(18)21(27)13-17/h2-4,6-9,12-13,15-16,25H,5,10-11,14,23H2,1H3,(H,24,28)/p+1