1-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]azocane

Systemtic Name: 1-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]azocane Openeye Name: 1-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]azocane CAS Name: 1-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]azocane IUPAC Name: 1-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]azocane Traditional Name: 1-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]azocane Formula: C22H33N3O2S MolecularWeight: 403.58132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)CN3CCCCCCC3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)CN3CCCCCCC3

InChI

InChI=1S/C22H33N3O2S/c1-19(2)16-25-21(17-24-13-9-4-3-5-10-14-24)15-23-22(25)28(26,27)18-20-11-7-6-8-12-20/h6-8,11-12,15,19H,3-5,9-10,13-14,16-18H2,1-2H3