[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone

Systemtic Name: [4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone Openeye Name: [4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone CAS Name: [4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]-[4-(5-methyl-1-pyrazolyl)phenyl]methanone IUPAC Name: [4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone Traditional Name: [4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazino]-[4-(5-methylpyrazol-1-yl)phenyl]methanone Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4C)C(C)(C)C)C

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4C)C(C)(C)C)C

InChI

InChI=1S/C27H34N4O3S/c1-19-17-23(27(4,5)6)18-20(2)25(19)35(33,34)30-15-13-29(14-16-30)26(32)22-7-9-24(10-8-22)31-21(3)11-12-28-31/h7-12,17-18H,13-16H2,1-6H3