1-[(4-methylsulfonylphenyl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[(4-methylsulfonylphenyl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[(4-methylsulfonylphenyl)methyl]-4-(3-pyridylmethyl)-1,4-diazepane CAS Name: 1-[(4-methylsulfonylphenyl)methyl]-4-(3-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-[(4-methylsulfonylphenyl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Traditional Name: 1-(4-mesylbenzyl)-4-(3-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=CN=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=CN=CC=C3

InChI

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