1-(4-methylphenyl)sulfonyl-4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[[1-(phenylmethyl)imidazol-2-yl]methyl]-1,4-diazepane Openeye Name: 1-[(1-benzylimidazol-2-yl)methyl]-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-4-[[1-(phenylmethyl)-2-imidazolyl]methyl]-1,4-diazepane IUPAC Name: 1-[(1-benzylimidazol-2-yl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-[(1-benzylimidazol-2-yl)methyl]-4-tosyl-1,4-diazepane Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NC=CN3CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NC=CN3CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2S/c1-20-8-10-22(11-9-20)30(28,29)27-14-5-13-25(16-17-27)19-23-24-12-15-26(23)18-21-6-3-2-4-7-21/h2-4,6-12,15H,5,13-14,16-19H2,1H3