1-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonyl-4-ethyl-piperazine

Systemtic Name: 1-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonyl-4-ethyl-piperazine Openeye Name: 1-(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonyl-4-ethyl-piperazine CAS Name: 1-[[3-tert-butyl-1-(phenylmethyl)-4-pyrazolyl]sulfonyl]-4-ethylpiperazine IUPAC Name: 1-(1-benzyl-3-tert-butylpyrazol-4-yl)sulfonyl-4-ethylpiperazine Traditional Name: 1-(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonyl-4-ethyl-piperazine Formula: C20H30N4O2S MolecularWeight: 390.5428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CN(N=C2C(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CN(N=C2C(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C20H30N4O2S/c1-5-22-11-13-24(14-12-22)27(25,26)18-16-23(21-19(18)20(2,3)4)15-17-9-7-6-8-10-17/h6-10,16H,5,11-15H2,1-4H3