1-[(6-methylpyridin-2-yl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(6-methylpyridin-2-yl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(6-methyl-2-pyridyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(6-methyl-2-pyridinyl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(6-methylpyridin-2-yl)methyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(4-mesylbenzyl)-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H27N3O2S/c1-17-5-3-6-19(21-17)16-23-12-4-11-22(13-14-23)15-18-7-9-20(10-8-18)26(2,24)25/h3,5-10H,4,11-16H2,1-2H3