1-(4-tert-butylphenyl)sulfonyl-4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]piperazine

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(4-chloranyl-3-nitro-pyrazol-1-yl)methyl]piperazine Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]piperazine CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(4-chloro-3-nitro-1-pyrazolyl)methyl]piperazine IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(4-chloro-3-nitropyrazol-1-yl)methyl]piperazine Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]piperazine Formula: C18H24ClN5O4S MolecularWeight: 441.93226

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN5O4S/c1-18(2,3)14-4-6-15(7-5-14)29(27,28)23-10-8-21(9-11-23)13-22-12-16(19)17(20-22)24(25)26/h4-7,12H,8-11,13H2,1-3H3