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

Systemtic Name: [6-oxidanylidene-8-[[3-oxidanyl-3-oxidanylidene-2-(phenylsulfonylamino)propyl]carbamoyl]quinolizin-3-yl]methylazanium Openeye Name: [8-[[2-(benzenesulfonamido)-3-hydroxy-3-oxo-propyl]carbamoyl]-6-oxo-quinolizin-3-yl]methylammonium CAS Name: [8-[[[2-(benzenesulfonamido)-3-hydroxy-3-oxopropyl]amino]-oxomethyl]-6-oxo-3-quinolizinyl]methylammonium IUPAC Name: [8-[[2-(benzenesulfonamido)-3-hydroxy-3-oxopropyl]carbamoyl]-6-oxoquinolizin-3-yl]methylazanium Traditional Name: [8-[[2-(benzenesulfonamido)-3-hydroxy-3-keto-propyl]carbamoyl]-6-keto-quinolizin-3-yl]methylammonium Formula: C20H21N4O6S+ MolecularWeight: 445.46894

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

InChI

InChI=1S/C20H20N4O6S/c21-10-13-6-7-15-8-14(9-18(25)24(15)12-13)19(26)22-11-17(20(27)28)23-31(29,30)16-4-2-1-3-5-16/h1-9,12,17,23H,10-11,21H2,(H,22,26)(H,27,28)/p+1