1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazine IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazine Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-mesitylsulfonyl-piperazine Formula: C19H27N5O4S MolecularWeight: 421.51378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)C

InChI

InChI=1S/C19H27N5O4S/c1-13-10-14(2)19(15(3)11-13)29(27,28)22-8-6-21(7-9-22)12-23-17(5)18(24(25)26)16(4)20-23/h10-11H,6-9,12H2,1-5H3