1-(4-methylphenyl)sulfonyl-4-pyrimidin-2-yl-1,4-diazepane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-pyrimidin-2-yl-1,4-diazepane Openeye Name: 1-(p-tolylsulfonyl)-4-pyrimidin-2-yl-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-4-(2-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-pyrimidin-2-yl-1,4-diazepane Traditional Name: 1-(2-pyrimidyl)-4-tosyl-1,4-diazepane Formula: C16H20N4O2S MolecularWeight: 332.4206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H20N4O2S/c1-14-4-6-15(7-5-14)23(21,22)20-11-3-10-19(12-13-20)16-17-8-2-9-18-16/h2,4-9H,3,10-13H2,1H3