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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(6-methyl-2-pyridyl)methyl]-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(6-methyl-2-pyridyl)methyl]-4-tosyl-1,4-diazepane Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC(=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC(=N3)C

InChI

InChI=1S/C19H25N3O2S/c1-16-7-9-19(10-8-16)25(23,24)22-12-4-11-21(13-14-22)15-18-6-3-5-17(2)20-18/h3,5-10H,4,11-15H2,1-2H3