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

Systemtic Name: 1-[(4-methylsulfonylphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane Openeye Name: 1-[(4-methylsulfonylphenyl)methyl]-4-(2-pyridylmethyl)-1,4-diazepane CAS Name: 1-[(4-methylsulfonylphenyl)methyl]-4-(2-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-[(4-methylsulfonylphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane Traditional Name: 1-(4-mesylbenzyl)-4-(2-pyridylmethyl)-1,4-diazepane Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C19H25N3O2S/c1-25(23,24)19-8-6-17(7-9-19)15-21-11-4-12-22(14-13-21)16-18-5-2-3-10-20-18/h2-3,5-10H,4,11-16H2,1H3