2-[(4S)-6,6-dimethylhept-1-en-4-yl]sulfonyl-1-(phenylmethyl)benzimidazole

Systemtic Name: 2-[(4S)-6,6-dimethylhept-1-en-4-yl]sulfonyl-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-2-[(1S)-1-(2,2-dimethylpropyl)but-3-enyl]sulfonyl-benzimidazole CAS Name: 2-[(4S)-6,6-dimethylhept-1-en-4-yl]sulfonyl-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-2-[(4S)-6,6-dimethylhept-1-en-4-yl]sulfonylbenzimidazole Traditional Name: 1-benzyl-2-[(1S)-1-neopentylbut-3-enyl]sulfonyl-benzimidazole Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(CC=C)S(=O)(=O)C1=NC2=CC=CC=C2N1CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C[C@H](CC=C)S(=O)(=O)C1=NC2=CC=CC=C2N1CC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O2S/c1-5-11-19(16-23(2,3)4)28(26,27)22-24-20-14-9-10-15-21(20)25(22)17-18-12-7-6-8-13-18/h5-10,12-15,19H,1,11,16-17H2,2-4H3/t19-/m0/s1