N,N-dimethyl-3-nitro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonyl-benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-nitro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonyl-benzenesulfonamide Openeye Name: N,N-dimethyl-3-nitro-4-[4-(2-pyridylmethyl)piperazin-1-yl]sulfonyl-benzenesulfonamide CAS Name: N,N-dimethyl-3-nitro-4-[[4-(2-pyridinylmethyl)-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-nitro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: N,N-dimethyl-3-nitro-4-[4-(2-pyridylmethyl)piperazino]sulfonyl-benzenesulfonamide Formula: C18H23N5O6S2 MolecularWeight: 469.53512

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O6S2/c1-20(2)30(26,27)16-6-7-18(17(13-16)23(24)25)31(28,29)22-11-9-21(10-12-22)14-15-5-3-4-8-19-15/h3-8,13H,9-12,14H2,1-2H3