[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone

Systemtic Name: [4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone Openeye Name: [4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone CAS Name: [4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]-(1-methyl-4-pyrazolyl)methanone IUPAC Name: [4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone Traditional Name: [4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazino]-(1-methylpyrazol-4-yl)methanone Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=CN(N=C3)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=CN(N=C3)C)C)C(C)(C)C

InChI

InChI=1S/C21H30N4O3S/c1-15-11-18(21(3,4)5)12-16(2)19(15)29(27,28)25-9-7-24(8-10-25)20(26)17-13-22-23(6)14-17/h11-14H,7-10H2,1-6H3