N,N-diethyl-N'-methylsulfonyl-1,3-benzothiazole-2-carboximidamide

Systemtic Name: N,N-diethyl-N'-methylsulfonyl-1,3-benzothiazole-2-carboximidamide Openeye Name: N,N-diethyl-N'-methylsulfonyl-1,3-benzothiazole-2-carboxamidine CAS Name: N,N-diethyl-N'-methylsulfonyl-1,3-benzothiazole-2-carboximidamide IUPAC Name: N,N-diethyl-N'-methylsulfonyl-1,3-benzothiazole-2-carboximidamide Traditional Name: N,N-diethyl-N'-mesyl-1,3-benzothiazole-2-carboxamidine Formula: C13H17N3O2S2 MolecularWeight: 311.42298

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=NS(=O)(=O)C)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CCN(CC)/C(=N/S(=O)(=O)C)/C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H17N3O2S2/c1-4-16(5-2)12(15-20(3,17)18)13-14-10-8-6-7-9-11(10)19-13/h6-9H,4-5H2,1-3H3/b15-12+