[6-oxidanylidene-8-[[3-oxidanyl-3-oxidanylidene-2-(phenylsulfonylamino)propyl]carbamoyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methylazanium

Systemtic Name: [6-oxidanylidene-8-[[3-oxidanyl-3-oxidanylidene-2-(phenylsulfonylamino)propyl]carbamoyl]-1,2,3,4-tetrahydroquinolizin-3-yl]methylazanium Openeye Name: [8-[[2-(benzenesulfonamido)-3-hydroxy-3-oxo-propyl]carbamoyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methylammonium CAS Name: [8-[[[2-(benzenesulfonamido)-3-hydroxy-3-oxopropyl]amino]-oxomethyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methylammonium IUPAC Name: [8-[[2-(benzenesulfonamido)-3-hydroxy-3-oxopropyl]carbamoyl]-6-oxo-1,2,3,4-tetrahydroquinolizin-3-yl]methylazanium Traditional Name: [8-[[2-(benzenesulfonamido)-3-hydroxy-3-keto-propyl]carbamoyl]-6-keto-1,2,3,4-tetrahydroquinolizin-3-yl]methylammonium Formula: C20H25N4O6S+ MolecularWeight: 449.5007

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC(=CC(=O)N2CC1C[NH3+])C(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC2=CC(=CC(=O)N2CC1C[NH3+])C(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O6S/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/h1-5,8-9,13,17,23H,6-7,10-12,21H2,(H,22,26)(H,27,28)/p+1