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

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(3-fluorophenyl)sulfonyl-piperazine Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(3-fluorophenyl)sulfonyl-piperazine CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(3-fluorophenyl)sulfonyl-piperazine Formula: C16H20FN5O4S MolecularWeight: 397.424503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20FN5O4S/c1-12-16(22(23)24)13(2)21(18-12)11-19-6-8-20(9-7-19)27(25,26)15-5-3-4-14(17)10-15/h3-5,10H,6-9,11H2,1-2H3