(1-tert-butyl-5-methyl-pyrazol-4-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (1-tert-butyl-5-methyl-pyrazol-4-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (1-tert-butyl-5-methyl-pyrazol-4-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (1-tert-butyl-5-methyl-4-pyrazolyl)-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (1-tert-butyl-5-methylpyrazol-4-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (1-tert-butyl-5-methyl-pyrazol-4-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]methanone Formula: C21H30N4O5S MolecularWeight: 450.5517

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O5S/c1-15-17(14-22-25(15)21(2,3)4)20(26)23-9-11-24(12-10-23)31(27,28)16-7-8-18(29-5)19(13-16)30-6/h7-8,13-14H,9-12H2,1-6H3