4-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[3-(3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]-1-piperazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazino]-N,N-diethyl-3-nitro-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)CCN3C(=CC(=N3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCN3C(=CC(=N3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H32N6O5S/c1-5-26(6-2)34(32,33)19-7-8-20(21(16-19)28(30)31)24-11-13-25(14-12-24)22(29)9-10-27-18(4)15-17(3)23-27/h7-8,15-16H,5-6,9-14H2,1-4H3