1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine Formula: C16H20N6O6S MolecularWeight: 424.4316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O6S/c1-12-16(22(25)26)13(2)20(17-12)11-18-7-9-19(10-8-18)29(27,28)15-6-4-3-5-14(15)21(23)24/h3-6H,7-11H2,1-2H3