2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone CAS Name: 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1)C)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H24N4O3S/c1-14-17(15(2)20-19-14)12-18(23)21-8-10-22(11-9-21)26(24,25)13-16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3,(H,19,20)