1-(4-tert-butylphenyl)sulfonyl-4-[(4-nitropyrazol-1-yl)methyl]piperazine

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(4-nitropyrazol-1-yl)methyl]piperazine Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(4-nitropyrazol-1-yl)methyl]piperazine CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(4-nitro-1-pyrazolyl)methyl]piperazine IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(4-nitropyrazol-1-yl)methyl]piperazine Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(4-nitropyrazol-1-yl)methyl]piperazine Formula: C18H25N5O4S MolecularWeight: 407.4872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O4S/c1-18(2,3)15-4-6-17(7-5-15)28(26,27)22-10-8-20(9-11-22)14-21-13-16(12-19-21)23(24)25/h4-7,12-13H,8-11,14H2,1-3H3