3-[[[1-(6-chloranylpyridazin-3-yl)piperidin-4-yl]carbonylamino]carbamoyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[[[1-(6-chloranylpyridazin-3-yl)piperidin-4-yl]carbonylamino]carbamoyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[[[1-(6-chloropyridazin-3-yl)piperidine-4-carbonyl]amino]carbamoyl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[[[[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]-oxomethyl]hydrazo]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[[[1-(6-chloropyridazin-3-yl)piperidine-4-carbonyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[[[1-(6-chloropyridazin-3-yl)isonipecotoyl]amino]carbamoyl]-N,N-diethyl-benzenesulfonamide Formula: C21H27ClN6O4S MolecularWeight: 494.99488

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2CCN(CC2)C3=NN=C(C=C3)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2CCN(CC2)C3=NN=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN6O4S/c1-3-28(4-2)33(31,32)17-7-5-6-16(14-17)21(30)26-25-20(29)15-10-12-27(13-11-15)19-9-8-18(22)23-24-19/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,25,29)(H,26,30)