2-(1,3-benzothiazol-3-ium-3-yl)-N-methyl-ethanesulfonamide; fluoranyl-bis(oxidanidyl)borane

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methyl-ethanesulfonamide; fluoranyl-bis(oxidanidyl)borane Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methyl-ethanesulfonamide; fluoro(dioxido)borane CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methylethanesulfonamide; fluoro(dioxido)borane IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methylethanesulfonamide; fluoro(dioxido)borane Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N-methyl-ethanesulfonamide; fluoro(dioxido)borane Formula: C80H104B4F4N16O24S16 MolecularWeight: 2306.052173

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Descriptors Computed from Structure

Canonical SMILES:

B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.CNS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CNS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CNS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CNS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CNS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CNS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CNS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CNS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21

Isomeric SMILES

B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.B([O-])([O-])F.CNS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CNS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CNS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CNS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CNS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CNS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CNS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21.CNS(=O)(=O)CC[N+]1=CSC2=CC=CC=C21

InChI

InChI=1S/8C10H13N2O2S2.4BFO2/c8*1-11-16(13,14)7-6-12-8-15-10-5-3-2-4-9(10)12;4*2-1(3)4/h8*2-5,8,11H,6-7H2,1H3;;;;/q8*+1;4*-2