3-[8-[[2-[methyl(phenylsulfonyl)amino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoyl]-6-oxidanylidene-quinolizin-3-yl]oxypropylazanium

Systemtic Name: 3-[8-[[2-[methyl(phenylsulfonyl)amino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoyl]-6-oxidanylidene-quinolizin-3-yl]oxypropylazanium Openeye Name: 3-[8-[[2-[benzenesulfonyl(methyl)amino]-3-hydroxy-3-oxo-propyl]carbamoyl]-6-oxo-quinolizin-3-yl]oxypropylammonium CAS Name: 3-[[8-[[[2-[benzenesulfonyl(methyl)amino]-3-hydroxy-3-oxopropyl]amino]-oxomethyl]-6-oxo-3-quinolizinyl]oxy]propylammonium IUPAC Name: 3-[8-[[2-[benzenesulfonyl(methyl)amino]-3-hydroxy-3-oxopropyl]carbamoyl]-6-oxoquinolizin-3-yl]oxypropylazanium Traditional Name: 3-[8-[[2-[besyl(methyl)amino]-3-hydroxy-3-keto-propyl]carbamoyl]-6-keto-quinolizin-3-yl]oxypropylammonium Formula: C23H27N4O7S+ MolecularWeight: 503.54808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O7S/c1-26(35(32,33)19-6-3-2-4-7-19)20(23(30)31)14-25-22(29)16-12-17-8-9-18(34-11-5-10-24)15-27(17)21(28)13-16/h2-4,6-9,12-13,15,20H,5,10-11,14,24H2,1H3,(H,25,29)(H,30,31)/p+1