3-[(4-pyrimidin-5-ylcarbonyl-1,4-diazepan-1-yl)sulfonyl]benzenecarbonitrile

Systemtic Name: 3-[(4-pyrimidin-5-ylcarbonyl-1,4-diazepan-1-yl)sulfonyl]benzenecarbonitrile Openeye Name: 3-[[4-(pyrimidine-5-carbonyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile CAS Name: 3-[[4-[oxo(5-pyrimidinyl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzonitrile IUPAC Name: 3-[[4-(pyrimidine-5-carbonyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile Traditional Name: 3-[[4-(pyrimidine-5-carbonyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)C(=O)C3=CN=CN=C3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)C(=O)C3=CN=CN=C3

InChI

InChI=1S/C17H17N5O3S/c18-10-14-3-1-4-16(9-14)26(24,25)22-6-2-5-21(7-8-22)17(23)15-11-19-13-20-12-15/h1,3-4,9,11-13H,2,5-8H2