1-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonyl-4-(5-chloranyl-2-methyl-phenyl)piperazine

Systemtic Name: 1-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonyl-4-(5-chloranyl-2-methyl-phenyl)piperazine Openeye Name: 1-(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonyl-4-(5-chloro-2-methyl-phenyl)piperazine CAS Name: 1-[[3-tert-butyl-1-(phenylmethyl)-4-pyrazolyl]sulfonyl]-4-(5-chloro-2-methylphenyl)piperazine IUPAC Name: 1-(1-benzyl-3-tert-butylpyrazol-4-yl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine Traditional Name: 1-(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonyl-4-(5-chloro-2-methyl-phenyl)piperazine Formula: C25H31ClN4O2S MolecularWeight: 487.05724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CN(N=C3C(C)(C)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CN(N=C3C(C)(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C25H31ClN4O2S/c1-19-10-11-21(26)16-22(19)28-12-14-30(15-13-28)33(31,32)23-18-29(27-24(23)25(2,3)4)17-20-8-6-5-7-9-20/h5-11,16,18H,12-15,17H2,1-4H3