2-[(2S)-4,4-dimethylpentan-2-yl]sulfonyl-1-[(3,5-dimethylphenyl)methyl]benzimidazole

Systemtic Name: 2-[(2S)-4,4-dimethylpentan-2-yl]sulfonyl-1-[(3,5-dimethylphenyl)methyl]benzimidazole Openeye Name: 1-[(3,5-dimethylphenyl)methyl]-2-[(1S)-1,3,3-trimethylbutyl]sulfonyl-benzimidazole CAS Name: 2-[(2S)-4,4-dimethylpentan-2-yl]sulfonyl-1-[(3,5-dimethylphenyl)methyl]benzimidazole IUPAC Name: 2-[(2S)-4,4-dimethylpentan-2-yl]sulfonyl-1-[(3,5-dimethylphenyl)methyl]benzimidazole Traditional Name: 1-(3,5-dimethylbenzyl)-2-[(1S)-1,3,3-trimethylbutyl]sulfonyl-benzimidazole Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN2C3=CC=CC=C3N=C2S(=O)(=O)C(C)CC(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)CN2C3=CC=CC=C3N=C2S(=O)(=O)[C@@H](C)CC(C)(C)C)C

InChI

InChI=1S/C23H30N2O2S/c1-16-11-17(2)13-19(12-16)15-25-21-10-8-7-9-20(21)24-22(25)28(26,27)18(3)14-23(4,5)6/h7-13,18H,14-15H2,1-6H3/t18-/m0/s1