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

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(4-propan-2-ylphenyl)sulfonyl-piperazine Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(4-isopropylphenyl)sulfonyl-piperazine CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazine IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazine Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-p-cumenylsulfonyl-piperazine Formula: C19H27N5O4S MolecularWeight: 421.51378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O4S/c1-14(2)17-5-7-18(8-6-17)29(27,28)22-11-9-21(10-12-22)13-23-16(4)19(24(25)26)15(3)20-23/h5-8,14H,9-13H2,1-4H3