1-[3-[4-(1-tert-butyl-3,5-dimethyl-pyrazol-4-yl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-(1-tert-butyl-3,5-dimethyl-pyrazol-4-yl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-(1-tert-butyl-3,5-dimethyl-pyrazole-4-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[(1-tert-butyl-3,5-dimethyl-4-pyrazolyl)-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-(1-tert-butyl-3,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(1-tert-butyl-3,5-dimethyl-pyrazole-4-carbonyl)piperazino]sulfonylphenyl]ethanone Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)(C)C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1C(C)(C)C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C22H30N4O4S/c1-15-20(16(2)26(23-15)22(4,5)6)21(28)24-10-12-25(13-11-24)31(29,30)19-9-7-8-18(14-19)17(3)27/h7-9,14H,10-13H2,1-6H3