N,N-diethyl-3-nitro-4-[4-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[4-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[4-(2-thioxo-1H-pyridine-3-carbonyl)piperazin-1-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[4-[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]-1-piperazinyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[4-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[4-(2-thioxo-1H-pyridine-3-carbonyl)piperazino]benzenesulfonamide Formula: C20H25N5O5S2 MolecularWeight: 479.573

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CNC3=S)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CNC3=S)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O5S2/c1-3-24(4-2)32(29,30)15-7-8-17(18(14-15)25(27)28)22-10-12-23(13-11-22)20(26)16-6-5-9-21-19(16)31/h5-9,14H,3-4,10-13H2,1-2H3,(H,21,31)