3-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonyl-propanamide; fluoranyl-bis(oxidanidyl)borane

Systemtic Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonyl-propanamide; fluoranyl-bis(oxidanidyl)borane Openeye Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonyl-propanamide; fluoro(dioxido)borane CAS Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonylpropanamide; fluoro(dioxido)borane IUPAC Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N-methylsulfonylpropanamide; fluoro(dioxido)borane Traditional Name: 3-(1,3-benzothiazol-3-ium-3-yl)-N-mesyl-propionamide; fluoro(dioxido)borane Formula: C88H104B4F4N16O32S16 MolecularWeight: 2530.132973

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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.CS(=O)(=O)NC(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)NC(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)NC(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)NC(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)NC(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)NC(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)NC(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)NC(=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.CS(=O)(=O)NC(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)NC(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)NC(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)NC(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)NC(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)NC(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)NC(=O)CC[N+]1=CSC2=CC=CC=C21.CS(=O)(=O)NC(=O)CC[N+]1=CSC2=CC=CC=C21

InChI

InChI=1S/8C11H12N2O3S2.4BFO2/c8*1-18(15,16)12-11(14)6-7-13-8-17-10-5-3-2-4-9(10)13;4*2-1(3)4/h8*2-5,8H,6-7H2,1H3;;;;/q;;;;;;;;4*-2/p+8