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

Systemtic Name: 4-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(4-cyano-2-pyridyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-(4-cyano-2-pyridinyl)-1-piperazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(4-cyano-2-pyridyl)piperazino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C20H24N6O4S MolecularWeight: 444.50736

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC(=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC(=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O4S/c1-3-25(4-2)31(29,30)17-5-6-18(19(14-17)26(27)28)23-9-11-24(12-10-23)20-13-16(15-21)7-8-22-20/h5-8,13-14H,3-4,9-12H2,1-2H3