N,N-diethyl-3-nitro-4-[4-[2-(1,3,5-trimethylpyrazol-4-yl)ethanoyl]piperazin-1-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[4-[2-(1,3,5-trimethylpyrazol-4-yl)ethanoyl]piperazin-1-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[4-[1-oxo-2-(1,3,5-trimethyl-4-pyrazolyl)ethyl]-1-piperazinyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazino]benzenesulfonamide Formula: C22H32N6O5S MolecularWeight: 492.59168

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC3=C(N(N=C3C)C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC3=C(N(N=C3C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H32N6O5S/c1-6-27(7-2)34(32,33)18-8-9-20(21(14-18)28(30)31)25-10-12-26(13-11-25)22(29)15-19-16(3)23-24(5)17(19)4/h8-9,14H,6-7,10-13,15H2,1-5H3