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

Systemtic Name: 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[(1-methylimidazol-2-yl)methyl]-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-[(1-methyl-2-imidazolyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[(1-methylimidazol-2-yl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-[(1-methylimidazol-2-yl)methyl]-4-tosyl-1,4-diazepane Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NC=CN3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NC=CN3C

InChI

InChI=1S/C17H24N4O2S/c1-15-4-6-16(7-5-15)24(22,23)21-10-3-9-20(12-13-21)14-17-18-8-11-19(17)2/h4-8,11H,3,9-10,12-14H2,1-2H3