3-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]carbonyl-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]carbonyl-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[4-(4-cyano-2-pyridyl)piperazine-1-carbonyl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[[4-(4-cyano-2-pyridinyl)-1-piperazinyl]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[4-(4-cyanopyridin-2-yl)piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[4-(4-cyano-2-pyridyl)piperazine-1-carbonyl]-N,N-diethyl-benzenesulfonamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C21H25N5O3S/c1-3-26(4-2)30(28,29)19-7-5-6-18(15-19)21(27)25-12-10-24(11-13-25)20-14-17(16-22)8-9-23-20/h5-9,14-15H,3-4,10-13H2,1-2H3