2-[(6-bromanyl-1,3-benzothiazol-2-yl)-[2-(phenylsulfonyl)ethanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-bromanyl-1,3-benzothiazol-2-yl)-[2-(phenylsulfonyl)ethanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(benzenesulfonyl)acetyl]-(6-bromo-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(benzenesulfonyl)-1-oxoethyl]-(6-bromo-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(benzenesulfonyl)acetyl]-(6-bromo-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2-besylacetyl)-(6-bromo-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C19H21BrN3O3S2+ MolecularWeight: 483.42234

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20BrN3O3S2/c1-22(2)10-11-23(19-21-16-9-8-14(20)12-17(16)27-19)18(24)13-28(25,26)15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3/p+1