1-(2-methylphenyl)-4-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-1,4-diazepane

Systemtic Name: 1-(2-methylphenyl)-4-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-1,4-diazepane Openeye Name: 1-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]-4-(o-tolyl)-1,4-diazepane CAS Name: 1-(2-methylphenyl)-4-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-1,4-diazepane IUPAC Name: 1-(2-methylphenyl)-4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-1,4-diazepane Traditional Name: 1-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]-4-(o-tolyl)-1,4-diazepane Formula: C21H32N4O2S MolecularWeight: 404.56938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCCN(CC2)CC3=CN=C(N3CC(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N2CCCN(CC2)CC3=CN=C(N3CC(C)C)S(=O)(=O)C

InChI

InChI=1S/C21H32N4O2S/c1-17(2)15-25-19(14-22-21(25)28(4,26)27)16-23-10-7-11-24(13-12-23)20-9-6-5-8-18(20)3/h5-6,8-9,14,17H,7,10-13,15-16H2,1-4H3