1-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]azepane

Systemtic Name: 1-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]azepane Openeye Name: 1-[(3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl]azepane CAS Name: 1-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]azepane IUPAC Name: 1-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]azepane Traditional Name: 1-[(3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl]azepane Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)CN3CCCCCC3

Isomeric SMILES

CC(C)CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)CN3CCCCCC3

InChI

InChI=1S/C21H31N3O2S/c1-18(2)17-27(25,26)21-22-14-20(16-23-12-8-3-4-9-13-23)24(21)15-19-10-6-5-7-11-19/h5-7,10-11,14,18H,3-4,8-9,12-13,15-17H2,1-2H3