1-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-6-oxidanyl-hexan-1-one

Systemtic Name: 1-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-6-oxidanyl-hexan-1-one Openeye Name: 1-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-6-hydroxy-hexan-1-one CAS Name: 1-[1-cyclohexyl-5-(4-methylsulfonylphenyl)-3-pyrazolyl]-6-hydroxy-1-hexanone IUPAC Name: 1-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]-6-hydroxyhexan-1-one Traditional Name: 1-[1-cyclohexyl-5-(4-mesylphenyl)pyrazol-3-yl]-6-hydroxy-hexan-1-one Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3CCCCC3)C(=O)CCCCCO

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3CCCCC3)C(=O)CCCCCO

InChI

InChI=1S/C22H30N2O4S/c1-29(27,28)19-13-11-17(12-14-19)21-16-20(22(26)10-6-3-7-15-25)23-24(21)18-8-4-2-5-9-18/h11-14,16,18,25H,2-10,15H2,1H3