1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone

Systemtic Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone Openeye Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone CAS Name: 1-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-2-(3,5-dimethyl-1-pyrazolyl)ethanone IUPAC Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone Traditional Name: 1-[4-(4-tert-butylphenyl)sulfonylpiperazino]-2-(3,5-dimethylpyrazol-1-yl)ethanone Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C21H30N4O3S/c1-16-14-17(2)25(22-16)15-20(26)23-10-12-24(13-11-23)29(27,28)19-8-6-18(7-9-19)21(3,4)5/h6-9,14H,10-13,15H2,1-5H3