2-[(1R,2S)-2-(4-tert-butylphenyl)sulfonylcyclohexyl]sulfanyl-4,6-dimethyl-pyrimidine

Systemtic Name: 2-[(1R,2S)-2-(4-tert-butylphenyl)sulfonylcyclohexyl]sulfanyl-4,6-dimethyl-pyrimidine Openeye Name: 2-[(1R,2S)-2-(4-tert-butylphenyl)sulfonylcyclohexyl]sulfanyl-4,6-dimethyl-pyrimidine CAS Name: 2-[[(1R,2S)-2-(4-tert-butylphenyl)sulfonylcyclohexyl]thio]-4,6-dimethylpyrimidine IUPAC Name: 2-[(1R,2S)-2-(4-tert-butylphenyl)sulfonylcyclohexyl]sulfanyl-4,6-dimethylpyrimidine Traditional Name: 2-[[(1R,2S)-2-(4-tert-butylphenyl)sulfonylcyclohexyl]thio]-4,6-dimethyl-pyrimidine Formula: C22H30N2O2S2 MolecularWeight: 418.6158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2CCCCC2S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)S[C@@H]2CCCC[C@@H]2S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C22H30N2O2S2/c1-15-14-16(2)24-21(23-15)27-19-8-6-7-9-20(19)28(25,26)18-12-10-17(11-13-18)22(3,4)5/h10-14,19-20H,6-9H2,1-5H3/t19-,20+/m1/s1