3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[4-[(1,5-dimethyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazino]propan-1-one Formula: C17H25N7O5S MolecularWeight: 439.4893

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=NN1C)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H25N7O5S/c1-12-17(24(26)27)14(3)23(19-12)6-5-16(25)21-7-9-22(10-8-21)30(28,29)15-11-18-20(4)13(15)2/h11H,5-10H2,1-4H3