(4-methylsulfonylphenyl)-(4-pyrimidin-5-ylcarbonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: (4-methylsulfonylphenyl)-(4-pyrimidin-5-ylcarbonyl-1,4-diazepan-1-yl)methanone Openeye Name: (4-methylsulfonylphenyl)-[4-(pyrimidine-5-carbonyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-methylsulfonylphenyl)-[4-[oxo(5-pyrimidinyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4-methylsulfonylphenyl)-[4-(pyrimidine-5-carbonyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-mesylphenyl)-[4-(pyrimidine-5-carbonyl)-1,4-diazepan-1-yl]methanone Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=CN=CN=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=CN=CN=C3

InChI

InChI=1S/C18H20N4O4S/c1-27(25,26)16-5-3-14(4-6-16)17(23)21-7-2-8-22(10-9-21)18(24)15-11-19-13-20-12-15/h3-6,11-13H,2,7-10H2,1H3