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

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-thiophen-2-ylsulfonyl-piperazine Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(2-thienylsulfonyl)piperazine CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-thiophen-2-ylsulfonylpiperazine IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-thiophen-2-ylsulfonylpiperazine Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(2-thienylsulfonyl)piperazine Formula: C14H19N5O4S2 MolecularWeight: 385.46176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2CCN(CC2)S(=O)(=O)C3=CC=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2CCN(CC2)S(=O)(=O)C3=CC=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C14H19N5O4S2/c1-11-14(19(20)21)12(2)18(15-11)10-16-5-7-17(8-6-16)25(22,23)13-4-3-9-24-13/h3-4,9H,5-8,10H2,1-2H3