1-[4-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-[[3-tert-butyl-1-(phenylmethyl)-4-pyrazolyl]sulfonyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-(1-benzyl-3-tert-butylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-[4-(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonylpiperazino]ethanone Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CN(N=C2C(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CN(N=C2C(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O3S/c1-16(25)22-10-12-24(13-11-22)28(26,27)18-15-23(21-19(18)20(2,3)4)14-17-8-6-5-7-9-17/h5-9,15H,10-14H2,1-4H3