(1-tert-butyl-5-methyl-pyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (1-tert-butyl-5-methyl-pyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (1-tert-butyl-5-methyl-pyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (1-tert-butyl-5-methyl-4-pyrazolyl)-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (1-tert-butyl-5-methylpyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (1-tert-butyl-5-methyl-pyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazino]methanone Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O4S/c1-15-18(14-21-24(15)20(2,3)4)19(25)22-10-12-23(13-11-22)29(26,27)17-8-6-16(28-5)7-9-17/h6-9,14H,10-13H2,1-5H3