4-[[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]carbamoyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]carbamoyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]carbamoyl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[2-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-methylhydrazinyl]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]carbamoyl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]carbamoyl]-N,N-diethyl-benzenesulfonamide Formula: C19H22N4O5S2 MolecularWeight: 450.53178

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NN(C)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NN(C)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H22N4O5S2/c1-4-23(5-2)30(27,28)15-12-10-14(11-13-15)19(24)20-22(3)18-16-8-6-7-9-17(16)29(25,26)21-18/h6-13H,4-5H2,1-3H3,(H,20,24)