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

Systemtic Name: 4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-(4-pivaloylpiperazino)benzenesulfonamide Formula: C19H30N4O5S MolecularWeight: 426.5303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O5S/c1-6-22(7-2)29(27,28)15-8-9-16(17(14-15)23(25)26)20-10-12-21(13-11-20)18(24)19(3,4)5/h8-9,14H,6-7,10-13H2,1-5H3