1-(1H-imidazol-2-ylmethyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-(1H-imidazol-2-ylmethyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-(1H-imidazol-2-ylmethyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-(1H-imidazol-2-ylmethyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-(1H-imidazol-2-ylmethyl)-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(1H-imidazol-2-ylmethyl)-4-(4-mesylbenzyl)-1,4-diazepane Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=NC=CN3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=NC=CN3

InChI

InChI=1S/C17H24N4O2S/c1-24(22,23)16-5-3-15(4-6-16)13-20-9-2-10-21(12-11-20)14-17-18-7-8-19-17/h3-8H,2,9-14H2,1H3,(H,18,19)